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

Systemtic Name: (3S)-2-(3-pentan-3-yloxyphenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(1-ethylpropoxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-(3-pentan-3-yloxyphenyl)methyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-pentan-3-yloxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-[3-(1-ethylpropoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C33H40N2O3 MolecularWeight: 512.6823

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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(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C33H40N2O3/c1-4-7-8-12-24-17-19-28(20-18-24)34-32(36)31-22-25-13-9-10-14-27(25)23-35(31)33(37)26-15-11-16-30(21-26)38-29(5-2)6-3/h9-11,13-21,29,31H,4-8,12,22-23H2,1-3H3,(H,34,36)/t31-/m0/s1