O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] O3-methyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethyl-2-pyrrolyl)ethyl] ester O3-methyl ester IUPAC Name: 5-O-[2-(2,5-dimethylpyrrol-2-yl)ethyl] 3-O-methyl 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethylpyrrol-2-yl)ethyl] ester O3-methyl ester Formula: C24H27BrN2O4 MolecularWeight: 487.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C=C1)(C)CCOC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Br)C(=O)OC)C)C

Isomeric SMILES

CC1=NC(C=C1)(C)CCOC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Br)C(=O)OC)C)C

InChI

InChI=1S/C24H27BrN2O4/c1-14-10-11-24(4,27-14)12-13-31-23(29)20-16(3)26-15(2)19(22(28)30-5)21(20)17-8-6-7-9-18(17)25/h6-11,21,26H,12-13H2,1-5H3