dicyclohexyl 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dicyclohexyl 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dicyclohexyl 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dicyclohexyl ester Formula: C27H34BrNO4 MolecularWeight: 516.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCCC2)C3=CC(=CC=C3)Br)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCCC2)C3=CC(=CC=C3)Br)C(=O)OC4CCCCC4

InChI

InChI=1S/C27H34BrNO4/c1-17-23(26(30)32-21-12-5-3-6-13-21)25(19-10-9-11-20(28)16-19)24(18(2)29-17)27(31)33-22-14-7-4-8-15-22/h9-11,16,21-22,25,29H,3-8,12-15H2,1-2H3