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

Systemtic Name: methyl 4-(4-bromophenyl)-2,6-dimethyl-5-propanoyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2,6-dimethyl-5-propanoyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-bromophenyl)-2,6-dimethyl-5-(1-oxopropyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2,6-dimethyl-5-propanoyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2,6-dimethyl-5-propionyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Br)C(=O)OC)C)C

Isomeric SMILES

CCC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Br)C(=O)OC)C)C

InChI

InChI=1S/C18H20BrNO3/c1-5-14(21)15-10(2)20-11(3)16(18(22)23-4)17(15)12-6-8-13(19)9-7-12/h6-9,17,20H,5H2,1-4H3