(phenylmethyl) 4-(2-bromophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(2-bromophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C24H22BrNO3 MolecularWeight: 452.34038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=CC=C3Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=CC=C3Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22BrNO3/c1-15-21(24(28)29-14-16-8-3-2-4-9-16)22(17-10-5-6-11-18(17)25)23-19(26-15)12-7-13-20(23)27/h2-6,8-12,22-23,26H,7,13-14H2,1H3