BENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, cis-

[(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate

CAS: 18429-98-6

Molecular Formula	`C20H29NO5`
Molecular Weight	363.4 g/mol
LogP	3.3
Topological Polar Surface Area	57.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	363.20456
Heavy Atoms	26
Complexity	459.0

Chemical Identifiers

CAS Number	18429-98-6
SMILES	`CN1CCC2C(C1)CCCC2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC`
InChIKey	`ITPBBIALPUKKHC-YISXUXMPSA-N`

📖 Product Overview

BENZOIC ACID, 3,4,5-TRIMETHOXY-, DECAHYDRO-2-METHYL-5-ISOQUINOLYL ESTER, cis- (CAS: 18429-98-6) is a chemical compound with molecular formula C20H29NO5 and molecular weight 363.4 g/mol. Its IUPAC systematic name is [(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl] 3,4,5-trimethoxybenzoate. LogP 3.3 Topological Polar Surface Area 57.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 363.20456 Heavy Atoms 26 Complexity 459.0 InChI Key: ITPBBIALPUKKHC-YISXUXMPSA-N. SMILES: CN1CCC2C(C1)CCCC2OC(=O)C3=CC(=C(C(=C3)OC)OC)OC.

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