5-[(4-methoxycarbonylcyclohexyl)methylcarbamoyl]-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 5-[(4-methoxycarbonylcyclohexyl)methylcarbamoyl]-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-5-[(4-methoxycarbonylcyclohexyl)methylcarbamoyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 5-[[(4-methoxycarbonylcyclohexyl)methylamino]-oxomethyl]-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-5-[(4-methoxycarbonylcyclohexyl)methylcarbamoyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-5-[(4-carbomethoxycyclohexyl)methylcarbamoyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CNC(=O)C2=CC=CC3=C2C(=C(N(C3=O)CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CCC(CC1)CNC(=O)C2=CC=CC3=C2C(=C(N(C3=O)CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O6/c1-41-33(40)24-17-15-21(16-18-24)19-34-30(36)25-13-8-14-26-28(25)27(23-11-6-3-7-12-23)29(32(38)39)35(31(26)37)20-22-9-4-2-5-10-22/h2-14,21,24H,15-20H2,1H3,(H,34,36)(H,38,39)