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

Systemtic Name: ethyl (4S)-2-azanyl-4-(4-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-bromophenyl)-5-keto-1-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C27H29BrN2O4 MolecularWeight: 525.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)OC)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC=C(C=C3)Br)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)OC)N

InChI

InChI=1S/C27H29BrN2O4/c1-5-34-26(32)24-22(16-6-8-17(28)9-7-16)23-20(14-27(2,3)15-21(23)31)30(25(24)29)18-10-12-19(33-4)13-11-18/h6-13,22H,5,14-15,29H2,1-4H3/t22-/m0/s1