dihexyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dihexyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dihexyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dihexyl ester Formula: C27H38ClNO4 MolecularWeight: 476.04792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCCCCCC)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCCCCCC)C)C

InChI

InChI=1S/C27H38ClNO4/c1-5-7-9-13-17-32-26(30)23-19(3)29-20(4)24(27(31)33-18-14-10-8-6-2)25(23)21-15-11-12-16-22(21)28/h11-12,15-16,25,29H,5-10,13-14,17-18H2,1-4H3