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

Systemtic Name: [6-[[4-(3-chloranylpropyl)piperazin-1-yl]methyl]-2,3-dimethoxy-phenyl] benzoate Openeye Name: [6-[[4-(3-chloropropyl)piperazin-1-yl]methyl]-2,3-dimethoxy-phenyl] benzoate CAS Name: benzoic acid [6-[[4-(3-chloropropyl)-1-piperazinyl]methyl]-2,3-dimethoxyphenyl] ester IUPAC Name: [6-[[4-(3-chloropropyl)piperazin-1-yl]methyl]-2,3-dimethoxyphenyl] benzoate Traditional Name: benzoic acid [6-[[4-(3-chloropropyl)piperazino]methyl]-2,3-dimethoxy-phenyl] ester Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O4/c1-28-20-10-9-19(17-26-15-13-25(14-16-26)12-6-11-24)21(22(20)29-2)30-23(27)18-7-4-3-5-8-18/h3-5,7-10H,6,11-17H2,1-2H3