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

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

Click to see the large picture

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)OCC)Cl

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)OCC)Cl

InChI

InChI=1S/C27H36ClN3O5/c1-6-16-12-13-30(15-20(16)29-26(34)36-27(3,4)5)21-11-10-18-23(22(21)28)31(17-8-9-17)14-19(24(18)32)25(33)35-7-2/h10-11,14,16-17,20H,6-9,12-13,15H2,1-5H3,(H,29,34)/t16-,20-/m1/s1