(3S)-2-[3-(3-methylbutan-2-yloxy)phenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[3-(3-methylbutan-2-yloxy)phenyl]carbonyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(1,2-dimethylpropoxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[3-(3-methylbutan-2-yloxy)phenyl]-oxomethyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[3-(3-methylbutan-2-yloxy)benzoyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-[3-(1,2-dimethylpropoxy)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(C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H40N2O3/c1-5-6-7-11-25-16-18-29(19-17-25)34-32(36)31-21-26-12-8-9-13-28(26)22-35(31)33(37)27-14-10-15-30(20-27)38-24(4)23(2)3/h8-10,12-20,23-24,31H,5-7,11,21-22H2,1-4H3,(H,34,36)/t24?,31-/m0/s1