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

Systemtic Name: 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3,6-dicarboxylic acid Openeye Name: 2-[(4-tert-butoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3,6-dicarboxylic acid CAS Name: 2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3,6-dicarboxylic acid IUPAC Name: 2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3,6-dicarboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylbenzyl)-1-keto-4-phenyl-isoquinoline-3,6-dicarboxylic acid Formula: C29H25NO7 MolecularWeight: 499.5113

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

InChI

InChI=1S/C29H25NO7/c1-29(2,3)37-28(36)19-11-9-17(10-12-19)16-30-24(27(34)35)23(18-7-5-4-6-8-18)22-15-20(26(32)33)13-14-21(22)25(30)31/h4-15H,16H2,1-3H3,(H,32,33)(H,34,35)