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

Systemtic Name: 6-aminocarbonyl-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-carbamoyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-carbamoyl-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-carbamoyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylbenzyl)-6-carbamoyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H26N2O6 MolecularWeight: 498.52654

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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)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)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H26N2O6/c1-29(2,3)37-28(36)19-11-9-17(10-12-19)16-31-24(27(34)35)23(18-7-5-4-6-8-18)22-15-20(25(30)32)13-14-21(22)26(31)33/h4-15H,16H2,1-3H3,(H2,30,32)(H,34,35)