ethyl 6-azanyl-8-chloranyl-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-8-chloranyl-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[3-(tert-butoxycarbonylamino)-4,5-dimethyl-1-piperidyl]-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-8-chloro-1-cyclopropyl-7-[3,4-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-8-chloro-1-cyclopropyl-7-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-[3-(tert-butoxycarbonylamino)-4,5-dimethyl-piperidino]-8-chloro-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C27H37ClN4O5 MolecularWeight: 533.05948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)N)N3CC(C(C(C3)NC(=O)OC(C)(C)C)C)C)Cl)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)N)N3CC(C(C(C3)NC(=O)OC(C)(C)C)C)C)Cl)C4CC4

InChI

InChI=1S/C27H37ClN4O5/c1-7-36-25(34)18-12-32(16-8-9-16)22-17(24(18)33)10-19(29)23(21(22)28)31-11-14(2)15(3)20(13-31)30-26(35)37-27(4,5)6/h10,12,14-16,20H,7-9,11,13,29H2,1-6H3,(H,30,35)