6-(dimethylcarbamoyl)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-(dimethylcarbamoyl)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(4-tert-butoxycarbonylphenyl)methyl]-6-(dimethylcarbamoyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-[dimethylamino(oxo)methyl]-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-(dimethylcarbamoyl)-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylbenzyl)-6-(dimethylcarbamoyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)C(=O)N(C)C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)C(=O)N(C)C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H30N2O6/c1-31(2,3)39-30(38)21-13-11-19(12-14-21)18-33-26(29(36)37)25(20-9-7-6-8-10-20)24-17-22(27(34)32(4)5)15-16-23(24)28(33)35/h6-17H,18H2,1-5H3,(H,36,37)