4-[[2-(2-piperidin-1-ylphenyl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(2-piperidin-1-ylphenyl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[2-[2-(1-piperidyl)phenyl]propanoylamino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-[2-(1-piperidinyl)phenyl]propyl]amino]methyl]benzoic acid IUPAC Name: 4-[[2-(2-piperidin-1-ylphenyl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[2-(2-piperidinophenyl)propanoylamino]methyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1N2CCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-16(19-7-3-4-8-20(19)24-13-5-2-6-14-24)21(25)23-15-17-9-11-18(12-10-17)22(26)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)(H,26,27)