5-azanyl-1-cyclopropyl-7-[3,3-dimethyl-4-(2-phenylethanoylamino)piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[3,3-dimethyl-4-(2-phenylethanoylamino)piperidin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[3,3-dimethyl-4-[(2-phenylacetyl)amino]-1-piperidyl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[3,3-dimethyl-4-[(1-oxo-2-phenylethyl)amino]-1-piperidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[3,3-dimethyl-4-[(2-phenylacetyl)amino]piperidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-[3,3-dimethyl-4-[(2-phenylacetyl)amino]piperidino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H33FN4O5 MolecularWeight: 536.594523

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCC1NC(=O)CC2=CC=CC=C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)OC)C

Isomeric SMILES

CC1(CN(CCC1NC(=O)CC2=CC=CC=C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)OC)C

InChI

InChI=1S/C29H33FN4O5/c1-29(2)15-33(12-11-19(29)32-20(35)13-16-7-5-4-6-8-16)25-22(30)23(31)21-24(27(25)39-3)34(17-9-10-17)14-18(26(21)36)28(37)38/h4-8,14,17,19H,9-13,15,31H2,1-3H3,(H,32,35)(H,37,38)