dipentyl 4-(5-chloranyl-2-methoxycarbonyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dipentyl 4-(5-chloranyl-2-methoxycarbonyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dipentyl 4-(5-chloro-2-methoxycarbonyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(5-chloro-2-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dipentyl ester IUPAC Name: dipentyl 4-(5-chloro-2-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-carbomethoxy-5-chloro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diamyl ester Formula: C27H36ClNO6 MolecularWeight: 506.03084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)Cl)C(=O)OC)C(=O)OCCCCC)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)Cl)C(=O)OC)C(=O)OCCCCC)C)C

InChI

InChI=1S/C27H36ClNO6/c1-6-8-10-14-34-26(31)22-17(3)29-18(4)23(27(32)35-15-11-9-7-2)24(22)21-16-19(28)12-13-20(21)25(30)33-5/h12-13,16,24,29H,6-11,14-15H2,1-5H3