1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzyloxycarbonylamino)-3,3-dimethyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethoxycarbonylamino)-1-piperidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3,3-dimethyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(benzyloxycarbonylamino)-3,3-dimethyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H32FN3O6 MolecularWeight: 537.579283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCC1NC(=O)OCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)C

Isomeric SMILES

CC1(CN(CCC1NC(=O)OCC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)C

InChI

InChI=1S/C29H32FN3O6/c1-29(2)16-32(12-11-22(29)31-28(37)39-15-17-7-5-4-6-8-17)24-21(30)13-19-23(26(24)38-3)33(18-9-10-18)14-20(25(19)34)27(35)36/h4-8,13-14,18,22H,9-12,15-16H2,1-3H3,(H,31,37)(H,35,36)