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

Systemtic Name: 6-methyl-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-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-methyl-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylbenzyl)-1-keto-6-methyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H27NO5/c1-18-10-15-22-23(16-18)24(20-8-6-5-7-9-20)25(27(32)33)30(26(22)31)17-19-11-13-21(14-12-19)28(34)35-29(2,3)4/h5-16H,17H2,1-4H3,(H,32,33)