1-cyclopropyl-8-methyl-4-oxidanylidene-7-[5-(phenylmethoxycarbonylamino)pyridin-3-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-8-methyl-4-oxidanylidene-7-[5-(phenylmethoxycarbonylamino)pyridin-3-yl]quinoline-3-carboxylic acid Openeye Name: 7-[5-(benzyloxycarbonylamino)-3-pyridyl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methyl-4-oxo-7-[5-(phenylmethoxycarbonylamino)-3-pyridinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-methyl-4-oxo-7-[5-(phenylmethoxycarbonylamino)pyridin-3-yl]quinoline-3-carboxylic acid Traditional Name: 7-[5-(benzyloxycarbonylamino)-3-pyridyl]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O5/c1-16-21(9-10-22-24(16)30(20-7-8-20)14-23(25(22)31)26(32)33)18-11-19(13-28-12-18)29-27(34)35-15-17-5-3-2-4-6-17/h2-6,9-14,20H,7-8,15H2,1H3,(H,29,34)(H,32,33)