3-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid

Systemtic Name: 3-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Openeye Name: 3-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 3-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]butan-2-yl]benzoic acid IUPAC Name: 3-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Traditional Name: 3-[1-carbamoyl-2-(2-piperidinophenyl)propyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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