Presecamine

4-O-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl] 1-O-methyl 4a-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-9-methyl-3,4-dihydro-2H-carbazole-1,4-dicarboxylate

Also Known As: Presecamine|4-{3-[2-(5-ethyl-3,6-dihydropyridin-1(2h)-yl)ethyl]-1h-indol-2-yl} 1-methyl 4a-[2-(5-ethyl-3,6-dihydropyridin-1(2h)-yl)ethyl]-9-methyl-3,4,4a,9-tetrahydro-2h-carbazole-1,4-dicarboxylate|4a-(2-(3-Ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-4-(3-(2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl)-1H-indol-2-yl)-3,4,4a,9-tetrahydro-2H-carbazole-1,4-dicarboxylic acid, dimethyl ester|2H-Carbazole-1,4-dicarboxylicacid,4a-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-4-[3-[2-(3-ethyl-5,6-dihydro-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl]-3,4,4a,9-tetrahydro-,dimethyl ester (9CI)|4-O-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl] 1-O-methyl 4a-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-9-methyl-3,4-dihydro-2H-carbazole-1,4-dicarboxylate

Molecular Formula	C42H52N4O4
Molecular Weight	676.39886 g/mol
LogP	6.9
Topological Polar Surface Area	78.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	13
Exact Mass	676.39886
Monoisotopic Mass	676.39886
Heavy Atoms	50
Complexity	1340.0

Chemical Identifiers

CAS Number	34643-12-4
SMILES	CCC1=CCCN(C1)CCC2=C(NC3=CC=CC=C32)OC(=O)C4CCC(=C5C4(C6=CC=CC=C6N5C)CCN7CCC=C(C7)CC)C(=O)OC
InChIKey	NOVGFFYKUVNGHQ-UHFFFAOYSA-N