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

Systemtic Name: [6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate Openeye Name: [6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate CAS Name: benzoic acid [6-[(4-heptyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester IUPAC Name: [6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate Traditional Name: benzoic acid [6-[(4-heptylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H38N2O4/c1-4-5-6-7-11-16-28-17-19-29(20-18-28)21-23-14-15-24(31-2)26(32-3)25(23)33-27(30)22-12-9-8-10-13-22/h8-10,12-15H,4-7,11,16-21H2,1-3H3