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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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