bis[3-[4-(phenylmethyl)piperazin-1-yl]propyl] 2,6-dimethyl-4-pentan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis[3-[4-(phenylmethyl)piperazin-1-yl]propyl] 2,6-dimethyl-4-pentan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(4-benzylpiperazin-1-yl)propyl] 2,6-dimethyl-4-(1-methylbutyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-pentan-2-yl-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-[4-(phenylmethyl)-1-piperazinyl]propyl] ester IUPAC Name: bis[3-(4-benzylpiperazin-1-yl)propyl] 2,6-dimethyl-4-pentan-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methylbutyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[3-(4-benzylpiperazino)propyl] ester Formula: C42H61N5O4 MolecularWeight: 699.96484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1C(=C(NC(=C1C(=O)OCCCN2CCN(CC2)CC3=CC=CC=C3)C)C)C(=O)OCCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCC(C)C1C(=C(NC(=C1C(=O)OCCCN2CCN(CC2)CC3=CC=CC=C3)C)C)C(=O)OCCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C42H61N5O4/c1-5-14-33(2)38-39(41(48)50-29-12-19-44-21-25-46(26-22-44)31-36-15-8-6-9-16-36)34(3)43-35(4)40(38)42(49)51-30-13-20-45-23-27-47(28-24-45)32-37-17-10-7-11-18-37/h6-11,15-18,33,38,43H,5,12-14,19-32H2,1-4H3