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

Systemtic Name: ethyl 1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Openeye Name: ethyl 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)C6CC6

InChI

InChI=1S/C31H28N2O5/c1-2-37-30(35)27-18-33(25-11-12-25)28-15-22(10-13-26(28)29(27)34)21-8-9-23-16-32(17-24(23)14-21)31(36)38-19-20-6-4-3-5-7-20/h3-10,13-15,18,25H,2,11-12,16-17,19H2,1H3