1-cyclopropyl-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonyl-3-methyl-isoindolin-5-yl)-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxy-3-methyl-isoindolin-5-yl)-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC

Isomeric SMILES

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC

InChI

InChI=1S/C31H28N2O6/c1-18-25-14-20(8-9-21(25)15-32(18)31(37)39-17-19-6-4-3-5-7-19)23-12-13-24-27(29(23)38-2)33(22-10-11-22)16-26(28(24)34)30(35)36/h3-9,12-14,16,18,22H,10-11,15,17H2,1-2H3,(H,35,36)