(phenylmethyl) 4-(2-bromophenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-bromophenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(2-bromophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid benzyl ester Formula: C24H22BrNO3 MolecularWeight: 452.34038

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)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/h2-6,8-11,21-22,26H,1,7,12-14H2