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

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

Isomeric SMILES

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

InChI

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