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

Systemtic Name: bis[3-[4-(phenylmethyl)piperazin-1-yl]propyl] 2,6-dimethyl-4-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[3-(4-benzylpiperazin-1-yl)propyl] 2,6-dimethyl-4-pentyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-pentyl-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-pentyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-amyl-2,6-dimethyl-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:

CCCCCC1C(=C(NC(=C1C(=O)OCCCN2CCN(CC2)CC3=CC=CC=C3)C)C)C(=O)OCCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCCC1C(=C(NC(=C1C(=O)OCCCN2CCN(CC2)CC3=CC=CC=C3)C)C)C(=O)OCCCN4CCN(CC4)CC5=CC=CC=C5

InChI

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