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

Systemtic Name: (3S)-2-(3-cyclopentyloxyphenyl)carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(cyclopentoxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-cyclopentyloxyphenyl)-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-cyclopentyloxybenzoyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-[3-(cyclopentoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C33H38N2O3 MolecularWeight: 510.66642

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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)OC5CCCC5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5CCCC5

InChI

InChI=1S/C33H38N2O3/c1-2-3-4-10-24-17-19-28(20-18-24)34-32(36)31-22-25-11-5-6-12-27(25)23-35(31)33(37)26-13-9-16-30(21-26)38-29-14-7-8-15-29/h5-6,9,11-13,16-21,29,31H,2-4,7-8,10,14-15,22-23H2,1H3,(H,34,36)/t31-/m0/s1