ethyl 1-cyclopropyl-6-fluoranyl-7-[3-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-en-2-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-7-[3-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-en-2-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[1-[[tert-butoxycarbonyl(methoxycarbonyl)amino]methyl]vinyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[3-[methoxycarbonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-en-2-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[3-[methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-en-2-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-[1-[[tert-butoxycarbonyl(carbomethoxy)amino]methyl]vinyl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H29FN2O7 MolecularWeight: 488.505363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(=C)CN(C(=O)OC)C(=O)OC(C)(C)C)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(=C)CN(C(=O)OC)C(=O)OC(C)(C)C)C3CC3

InChI

InChI=1S/C25H29FN2O7/c1-7-34-22(30)18-13-27(15-8-9-15)20-11-16(19(26)10-17(20)21(18)29)14(2)12-28(23(31)33-6)24(32)35-25(3,4)5/h10-11,13,15H,2,7-9,12H2,1,3-6H3