2-[3-(1-methylpyrrol-2-yl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzoic acid

Systemtic Name: 2-[3-(1-methylpyrrol-2-yl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzoic acid Openeye Name: 2-[2-(benzylamino)-1-[(1-methylpyrrol-2-yl)methyl]-2-oxo-ethyl]benzoic acid CAS Name: 2-[3-(1-methyl-2-pyrrolyl)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]benzoic acid IUPAC Name: 2-[1-(benzylamino)-3-(1-methylpyrrol-2-yl)-1-oxopropan-2-yl]benzoic acid Traditional Name: 2-[2-(benzylamino)-2-keto-1-[(1-methylpyrrol-2-yl)methyl]ethyl]benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC(C2=CC=CC=C2C(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CC(C2=CC=CC=C2C(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-24-13-7-10-17(24)14-20(18-11-5-6-12-19(18)22(26)27)21(25)23-15-16-8-3-2-4-9-16/h2-13,20H,14-15H2,1H3,(H,23,25)(H,26,27)