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

Systemtic Name: [6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride Openeye Name: [6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride CAS Name: benzoic acid [6-[(4-cyclohexyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester dihydrochloride IUPAC Name: [6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate dihydrochloride Traditional Name: benzoic acid [6-[(4-cyclohexylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester dihydrochloride Formula: C26H36Cl2N2O4 MolecularWeight: 511.48104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCCCC3)OC(=O)C4=CC=CC=C4)OC.Cl.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCCCC3)OC(=O)C4=CC=CC=C4)OC.Cl.Cl

InChI

InChI=1S/C26H34N2O4.2ClH/c1-30-23-14-13-21(19-27-15-17-28(18-16-27)22-11-7-4-8-12-22)24(25(23)31-2)32-26(29)20-9-5-3-6-10-20;;/h3,5-6,9-10,13-14,22H,4,7-8,11-12,15-19H2,1-2H3;2*1H