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

Systemtic Name: (3S)-2-(4-methoxy-3-phenylmethoxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-benzyloxy-4-methoxy-benzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-methoxy-3-phenylmethoxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methoxy-3-phenylmethoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(3-benzoxy-4-methoxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C36H38N2O4 MolecularWeight: 562.69792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=C(C=C4)OC)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=C(C=C4)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C36H38N2O4/c1-3-4-6-11-26-16-19-31(20-17-26)37-35(39)32-22-28-14-9-10-15-30(28)24-38(32)36(40)29-18-21-33(41-2)34(23-29)42-25-27-12-7-5-8-13-27/h5,7-10,12-21,23,32H,3-4,6,11,22,24-25H2,1-2H3,(H,37,39)/t32-/m0/s1