2-[[2-(3,3-diphenylpropanoyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[2-(3,3-diphenylpropanoyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[2-(3,3-diphenylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[oxo-[2-(1-oxo-3,3-diphenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]hexanoic acid IUPAC Name: 2-[[2-(3,3-diphenylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[2-(3,3-diphenylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H34N2O4/c1-2-3-18-27(31(36)37)32-30(35)28-19-24-16-10-11-17-25(24)21-33(28)29(34)20-26(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,26-28H,2-3,18-21H2,1H3,(H,32,35)(H,36,37)