methyl (4S)-2-azanyl-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: methyl (4S)-2-azanyl-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S)-2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C25H24BrFN2O3 MolecularWeight: 499.372063

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC=C(C=C4)Br)C(=O)C1)C

InChI

InChI=1S/C25H24BrFN2O3/c1-25(2)12-18-21(19(30)13-25)20(14-8-10-15(26)11-9-14)22(24(31)32-3)23(28)29(18)17-7-5-4-6-16(17)27/h4-11,20H,12-13,28H2,1-3H3/t20-/m0/s1