(3S)-2-[3-(2-methylpropoxy)phenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-(2-methylpropoxy)phenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-isobutoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(2-methylpropoxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(3-isobutoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C32H38N2O3 MolecularWeight: 498.65572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OCC(C)C

InChI

InChI=1S/C32H38N2O3/c1-4-5-6-10-24-15-17-28(18-16-24)33-31(35)30-20-25-11-7-8-12-27(25)21-34(30)32(36)26-13-9-14-29(19-26)37-22-23(2)3/h7-9,11-19,23,30H,4-6,10,20-22H2,1-3H3,(H,33,35)/t30-/m0/s1