1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[(3S,4R)-4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-(tert-butoxycarbonylamino)-4-ethyl-piperidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC

InChI

InChI=1S/C26H35N3O6/c1-6-15-11-12-28(14-19(15)27-25(33)35-26(2,3)4)20-10-9-17-21(23(20)34-5)29(16-7-8-16)13-18(22(17)30)24(31)32/h9-10,13,15-16,19H,6-8,11-12,14H2,1-5H3,(H,27,33)(H,31,32)/t15-,19-/m1/s1