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

Systemtic Name: 3-[4-[2-(4-methylphenoxy)ethanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[2-(4-methylphenoxy)-1-oxoethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15-5-7-18(8-6-15)28-14-19(24)22-9-11-23(12-10-22)20(25)16-3-2-4-17(13-16)21(26)27/h2-8,13H,9-12,14H2,1H3,(H,26,27)