1-cyclopropyl-7-(5,6-dimethylpyridin-3-yl)-8-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(5,6-dimethylpyridin-3-yl)-8-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-1-cyclopropyl-7-(5,6-dimethyl-3-pyridyl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(5,6-dimethyl-3-pyridinyl)-8-methyl-4-oxo-5-(phenylmethoxycarbonylamino)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(5,6-dimethylpyridin-3-yl)-8-methyl-4-oxo-5-(phenylmethoxycarbonylamino)quinoline-3-carboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-1-cyclopropyl-7-(5,6-dimethyl-3-pyridyl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)C2=CC(=C3C(=C2C)N(C=C(C3=O)C(=O)O)C4CC4)NC(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N=CC(=C1)C2=CC(=C3C(=C2C)N(C=C(C3=O)C(=O)O)C4CC4)NC(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H27N3O5/c1-16-11-20(13-30-18(16)3)22-12-24(31-29(36)37-15-19-7-5-4-6-8-19)25-26(17(22)2)32(21-9-10-21)14-23(27(25)33)28(34)35/h4-8,11-14,21H,9-10,15H2,1-3H3,(H,31,36)(H,34,35)