(3S)-2-(3-methoxyphenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-methoxyphenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-methoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-methoxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-methoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-m-anisoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H32N2O3 MolecularWeight: 456.57598

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3/c1-3-4-5-9-21-14-16-25(17-15-21)30-28(32)27-19-22-10-6-7-11-24(22)20-31(27)29(33)23-12-8-13-26(18-23)34-2/h6-8,10-18,27H,3-5,9,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1