2-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-[3-(3-methylphenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-[3-(3-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-[3-(3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[3-(3-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[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=C3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O

InChI

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