2-[2-[(4-carboxycyclohexyl)methylamino]-2-oxidanylidene-1-phenyl-ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carboxycyclohexyl)methylamino]-2-oxidanylidene-1-phenyl-ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(4-carboxycyclohexyl)methylamino]-2-oxo-1-phenyl-ethyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(4-carboxycyclohexyl)methylamino]-2-oxo-1-phenylethyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[2-[(4-carboxycyclohexyl)methylamino]-2-oxo-1-phenylethyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(4-carboxycyclohexyl)methylamino]-2-keto-1-phenyl-ethyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C32H30N2O6 MolecularWeight: 538.5904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C(C2=CC=CC=C2)N3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C(C2=CC=CC=C2)N3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C32H30N2O6/c35-29(33-19-20-15-17-23(18-16-20)31(37)38)27(22-11-5-2-6-12-22)34-28(32(39)40)26(21-9-3-1-4-10-21)24-13-7-8-14-25(24)30(34)36/h1-14,20,23,27H,15-19H2,(H,33,35)(H,37,38)(H,39,40)