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

Systemtic Name: 3-[4-(1-phenylethyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-(1-phenylethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(1-phenylethyl)piperazine-1-carbonyl]benzoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-15(16-6-3-2-4-7-16)21-10-12-22(13-11-21)19(23)17-8-5-9-18(14-17)20(24)25/h2-9,14-15H,10-13H2,1H3,(H,24,25)