4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-(p-tolyl)isoquinoline-6-carboxylic acid CAS Name: 4-(4-methylphenyl)-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-(p-tolyl)isoquinoline-6-carboxylic acid Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)O)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C(=O)O)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N2O5/c1-16(2)15-29-22(14-28-26(33)34-27(4,5)6)23(18-9-7-17(3)8-10-18)21-13-19(25(31)32)11-12-20(21)24(29)30/h7-13,16H,14-15H2,1-6H3,(H,28,33)(H,31,32)