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

Systemtic Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[3-(2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

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