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

Systemtic Name: [2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] benzoate Openeye Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate CAS Name: benzoic acid [2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate Traditional Name: benzoic acid [6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O4/c1-31-24-14-13-23(25(26(24)32-2)33-27(30)22-11-7-4-8-12-22)20-29-17-15-28(16-18-29)19-21-9-5-3-6-10-21/h3-14H,15-20H2,1-2H3