7-[(4aS,7aS)-1-(1-chloroethyloxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4aS,7aS)-1-(1-chloroethyloxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4aS,7aS)-1-(1-chloroethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4aS,7aS)-1-[1-chloroethoxy(oxo)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4aS,7aS)-1-(1-chloroethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4aS,7aS)-1-(1-chloroethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H27ClFN3O6 MolecularWeight: 507.939083

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1CCCC2C1CN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)Cl

Isomeric SMILES

CC(OC(=O)N1CCC[C@@H]2[C@H]1CN(C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F)Cl

InChI

InChI=1S/C24H27ClFN3O6/c1-12(25)35-24(33)28-7-3-4-13-9-27(11-18(13)28)20-17(26)8-15-19(22(20)34-2)29(14-5-6-14)10-16(21(15)30)23(31)32/h8,10,12-14,18H,3-7,9,11H2,1-2H3,(H,31,32)/t12?,13-,18+/m0/s1