O5-octan-3-yl O3-(2-oxidanylidene-2-piperazin-1-yl-ethyl) 4-[2,6-bis(chloranyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-octan-3-yl O3-(2-oxidanylidene-2-piperazin-1-yl-ethyl) 4-[2,6-bis(chloranyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(1-ethylhexyl) O3-(2-oxo-2-piperazin-1-yl-ethyl) 4-(2,6-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,6-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-octan-3-yl ester O3-[2-oxo-2-(1-piperazinyl)ethyl] ester IUPAC Name: 5-O-octan-3-yl 3-O-(2-oxo-2-piperazin-1-ylethyl) 4-(2,6-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2,6-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(1-ethylhexyl) ester O3-(2-keto-2-piperazino-ethyl) ester Formula: C28H37Cl2N3O5 MolecularWeight: 566.51648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CNC(=C(C1C2=C(C=CC=C2Cl)Cl)C(=O)OCC(=O)N3CCNCC3)C

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CNC(=C(C1C2=C(C=CC=C2Cl)Cl)C(=O)OCC(=O)N3CCNCC3)C

InChI

InChI=1S/C28H37Cl2N3O5/c1-4-6-7-9-19(5-2)38-27(35)20-16-32-18(3)24(25(20)26-21(29)10-8-11-22(26)30)28(36)37-17-23(34)33-14-12-31-13-15-33/h8,10-11,16,19,25,31-32H,4-7,9,12-15,17H2,1-3H3