AC1LCIOC

dimethyl 2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate

Also Known As: 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester|2-Azbicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-[(ethylphenylamino)carbonyl]-2-(phenylmethyl)-, dimethyl ester|4-[[ phenylamino]carbonyl]-2- -2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylicaciddimethylester|4-[[(Ethyl)phenylamino]carbonyl]-2-(phenylmethyl)-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester|7,8-dimethyl 2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate|Dimethyl 2-benzyl-4-[(ethylanilino)carbonyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate|Dimethyl 2-benzyl-4-[(ethylanilino)carbonyl]-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate #|dimethyl 5-benzyl-3-[ethyl(phenyl)carbamoyl]-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate

Molecular Formula	C27H30N2O5
Molecular Weight	462.21548 g/mol
LogP	3.4
Topological Polar Surface Area	76.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	462.21548
Monoisotopic Mass	462.21548
Heavy Atoms	34
Complexity	784.0

Chemical Identifiers

CAS Number	39713-19-4
SMILES	CCN(C1=CC=CC=C1)C(=O)C2=CN(C3C(C2)C(C3C(=O)OC)C(=O)OC)CC4=CC=CC=C4
InChIKey	XMWBJZDABKOKLH-UHFFFAOYSA-N