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

Systemtic Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[3-(3-methylphenoxy)propanoyl]piperazino]benzoic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-16-3-2-4-19(15-16)27-14-9-20(24)23-12-10-22(11-13-23)18-7-5-17(6-8-18)21(25)26/h2-8,15H,9-14H2,1H3,(H,25,26)