[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] octanoate

Systemtic Name: [2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] octanoate Openeye Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] octanoate CAS Name: octanoic acid [2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] octanoate Traditional Name: caprylic acid [6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C28H40N2O4/c1-4-5-6-7-11-14-26(31)34-27-24(15-16-25(32-2)28(27)33-3)22-30-19-17-29(18-20-30)21-23-12-9-8-10-13-23/h8-10,12-13,15-16H,4-7,11,14,17-22H2,1-3H3