[1,4-bis(phenylmethyl)piperazin-2-yl]methyl octanoate

Systemtic Name: [1,4-bis(phenylmethyl)piperazin-2-yl]methyl octanoate Openeye Name: (1,4-dibenzylpiperazin-2-yl)methyl octanoate CAS Name: octanoic acid [1,4-bis(phenylmethyl)-2-piperazinyl]methyl ester IUPAC Name: (1,4-dibenzylpiperazin-2-yl)methyl octanoate Traditional Name: caprylic acid (1,4-dibenzylpiperazin-2-yl)methyl ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H38N2O2/c1-2-3-4-5-12-17-27(30)31-23-26-22-28(20-24-13-8-6-9-14-24)18-19-29(26)21-25-15-10-7-11-16-25/h6-11,13-16,26H,2-5,12,17-23H2,1H3