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

Systemtic Name: (3S)-2-(4-ethoxy-3-phenoxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-ethoxy-3-phenoxy-benzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-ethoxy-3-phenoxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-ethoxy-3-phenoxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(4-ethoxy-3-phenoxy-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)OCC)OC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=C(C=C4)OCC)OC5=CC=CC=C5

InChI

InChI=1S/C36H38N2O4/c1-3-5-7-12-26-17-20-30(21-18-26)37-35(39)32-23-27-13-10-11-14-29(27)25-38(32)36(40)28-19-22-33(41-4-2)34(24-28)42-31-15-8-6-9-16-31/h6,8-11,13-22,24,32H,3-5,7,12,23,25H2,1-2H3,(H,37,39)/t32-/m0/s1