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

Systemtic Name: 3-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[1-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[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=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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