4-[2-[4-(2-methyl-3-phenyl-propanoyl)piperazin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-(2-methyl-3-phenyl-propanoyl)piperazin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[4-(2-methyl-3-phenyl-propanoyl)piperazin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[4-(2-methyl-1-oxo-3-phenylpropyl)-1-piperazinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[4-(2-methyl-3-phenylpropanoyl)piperazin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[4-(2-methyl-3-phenyl-propanoyl)piperazino]ethyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-18(17-20-5-3-2-4-6-20)22(26)25-15-13-24(14-16-25)12-11-19-7-9-21(10-8-19)23(27)28/h2-10,18H,11-17H2,1H3,(H,27,28)