4-[1-azanyl-3-(5-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[2-amino-1-[[5-methyl-2-(1-piperidyl)phenyl]methyl]-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[5-methyl-2-(1-piperidinyl)phenyl]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-methyl-2-piperidin-1-ylphenyl)-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[2-amino-2-keto-1-(5-methyl-2-piperidino-benzyl)ethyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCCCC2)CC(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCCCC2)CC(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H26N2O3/c1-15-5-10-20(24-11-3-2-4-12-24)18(13-15)14-19(21(23)25)16-6-8-17(9-7-16)22(26)27/h5-10,13,19H,2-4,11-12,14H2,1H3,(H2,23,25)(H,26,27)