3-[4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-[4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyridyl]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[3-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-pyridinyl]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopyridin-1-yl]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-keto-3-[4-(o-tolylcarbamoylamino)phenyl]-1-pyridyl]methyl]phenyl]propionic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C29H27N3O4/c1-20-5-2-3-7-26(20)31-29(36)30-24-15-13-23(14-16-24)25-6-4-18-32(28(25)35)19-22-10-8-21(9-11-22)12-17-27(33)34/h2-11,13-16,18H,12,17,19H2,1H3,(H,33,34)(H2,30,31,36)