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

Systemtic Name: 3-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[3-(3-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[3-(3-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[3-(3-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-16-4-2-7-19(14-16)29-13-8-20(25)23-9-11-24(12-10-23)21(26)17-5-3-6-18(15-17)22(27)28/h2-7,14-15H,8-13H2,1H3,(H,27,28)