phenethyl 4-(2-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: phenethyl 4-(2-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: phenethyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 4-(2-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid phenethyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC=CC=C2Br)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(CC(=O)N1)C2=CC=CC=C2Br)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO3/c1-14-20(21(25)26-12-11-15-7-3-2-4-8-15)17(13-19(24)23-14)16-9-5-6-10-18(16)22/h2-10,17H,11-13H2,1H3,(H,23,24)