1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C29H24N2O5 MolecularWeight: 480.51126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)C(=O)O

InChI

InChI=1S/C29H24N2O5/c32-27-24-11-8-20(13-26(24)31(23-9-10-23)16-25(27)28(33)34)19-6-7-21-14-30(15-22(21)12-19)29(35)36-17-18-4-2-1-3-5-18/h1-8,11-13,16,23H,9-10,14-15,17H2,(H,33,34)