4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazino]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-15(17-6-9-19(26-2)20(14-17)27-3)22-10-12-23(13-11-22)18-7-4-16(5-8-18)21(24)25/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)