methyl 4-(4-bromophenyl)-2,6-dimethyl-5-(phenylcarbonyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2,6-dimethyl-5-(phenylcarbonyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-benzoyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-benzoyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-benzoyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H20BrNO3 MolecularWeight: 426.3031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3/c1-13-18(21(25)16-7-5-4-6-8-16)20(15-9-11-17(23)12-10-15)19(14(2)24-13)22(26)27-3/h4-12,20,24H,1-3H3