8-chloranyl-1-cyclopropyl-6-methyl-4-oxidanylidene-7-[3,3,4-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-methyl-4-oxidanylidene-7-[3,3,4-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[5-(tert-butoxycarbonylamino)-3,3,4-trimethyl-1-piperidyl]-8-chloro-1-cyclopropyl-6-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-methyl-4-oxo-7-[3,3,4-trimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-methyl-4-oxo-7-[3,3,4-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-[5-(tert-butoxycarbonylamino)-3,3,4-trimethyl-piperidino]-8-chloro-1-cyclopropyl-4-keto-6-methyl-quinoline-3-carboxylic acid Formula: C27H36ClN3O5 MolecularWeight: 518.04484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN(CC1(C)C)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(CN(CC1(C)C)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H36ClN3O5/c1-14-10-17-22(31(16-8-9-16)11-18(23(17)32)24(33)34)20(28)21(14)30-12-19(15(2)27(6,7)13-30)29-25(35)36-26(3,4)5/h10-11,15-16,19H,8-9,12-13H2,1-7H3,(H,29,35)(H,33,34)