5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-[3-(3-methylphenoxy)propanoyl]piperazino]benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-15-3-2-4-17(13-15)28-12-7-20(25)23-10-8-22(9-11-23)16-5-6-19(24)18(14-16)21(26)27/h2-6,13-14,24H,7-12H2,1H3,(H,26,27)