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

Systemtic Name: (3S)-2-(3-cyclohexyloxyphenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(cyclohexoxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-cyclohexyloxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-cyclohexyloxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-[3-(cyclohexoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C34H40N2O3 MolecularWeight: 524.693

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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)OC5CCCCC5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5CCCCC5

InChI

InChI=1S/C34H40N2O3/c1-2-3-5-11-25-18-20-29(21-19-25)35-33(37)32-23-26-12-8-9-13-28(26)24-36(32)34(38)27-14-10-17-31(22-27)39-30-15-6-4-7-16-30/h8-10,12-14,17-22,30,32H,2-7,11,15-16,23-24H2,1H3,(H,35,37)/t32-/m0/s1