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

Systemtic Name: ethyl 8-chloranyl-1-cyclopropyl-7-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-7-[(3S)-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)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-[(3S)-3-(tert-butoxycarbonylamino)piperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H32ClN3O5 MolecularWeight: 489.99168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2Cl)N3CCCC(C3)NC(=O)OC(C)(C)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2Cl)N3CCC[C@@H](C3)NC(=O)OC(C)(C)C)C4CC4

InChI

InChI=1S/C25H32ClN3O5/c1-5-33-23(31)18-14-29(16-8-9-16)21-17(22(18)30)10-11-19(20(21)26)28-12-6-7-15(13-28)27-24(32)34-25(2,3)4/h10-11,14-16H,5-9,12-13H2,1-4H3,(H,27,32)/t15-/m0/s1