4-[2-[4-[2-(4-methylphenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-[2-(4-methylphenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-[2-(4-methylphenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-[2-(4-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-[2-(4-methylphenoxy)propyl]piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-[2-(4-methylphenoxy)propyl]piperazino]ethyl]benzoic acid Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)CN2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)CN2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H30N2O3/c1-18-3-9-22(10-4-18)28-19(2)17-25-15-13-24(14-16-25)12-11-20-5-7-21(8-6-20)23(26)27/h3-10,19H,11-17H2,1-2H3,(H,26,27)