methyl (2S)-2-[[1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-quinolin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-quinolin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(1-cyclopropyl-6,7-difluoro-4-keto-8-methoxy-quinoline-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C24H22F2N2O5 MolecularWeight: 456.438686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H22F2N2O5/c1-32-22-19(26)17(25)11-15-20(22)28(14-8-9-14)12-16(21(15)29)23(30)27-18(24(31)33-2)10-13-6-4-3-5-7-13/h3-7,11-12,14,18H,8-10H2,1-2H3,(H,27,30)/t18-/m0/s1