4-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(3-methylphenoxy)acetyl]piperazino]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-15-3-2-4-18(13-15)26-14-19(23)22-11-9-21(10-12-22)17-7-5-16(6-8-17)20(24)25/h2-8,13H,9-12,14H2,1H3,(H,24,25)