(3S)-2-(4-methyl-3-propan-2-yloxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-methyl-3-propan-2-yloxy-phenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-isopropoxy-4-methyl-benzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-methyl-3-propan-2-yloxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methyl-3-propan-2-yloxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(3-isopropoxy-4-methyl-benzoyl)-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(=C(C=C4)C)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O3/c1-5-6-7-10-24-14-17-28(18-15-24)33-31(35)29-19-25-11-8-9-12-27(25)21-34(29)32(36)26-16-13-23(4)30(20-26)37-22(2)3/h8-9,11-18,20,22,29H,5-7,10,19,21H2,1-4H3,(H,33,35)/t29-/m0/s1