methyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromophenyl)-5-keto-2,6,6-trimethyl-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C20H22BrNO3/c1-11-15(19(24)25-4)16(12-6-5-7-13(21)10-12)17-14(22-11)8-9-20(2,3)18(17)23/h5-7,10,16,22H,8-9H2,1-4H3