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

Systemtic Name: 2-acetamido-3-[4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]propanoic acid Openeye Name: 2-acetamido-3-[4-[[3-[4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyridyl]methyl]phenyl]propanoic acid CAS Name: 2-acetamido-3-[4-[[3-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-pyridinyl]methyl]phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[4-[[3-[4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopyridin-1-yl]methyl]phenyl]propanoic acid Traditional Name: 2-acetamido-3-[4-[[2-keto-3-[4-(o-tolylcarbamoylamino)phenyl]-1-pyridyl]methyl]phenyl]propionic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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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)CC(C(=O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H30N4O5/c1-20-6-3-4-8-27(20)34-31(40)33-25-15-13-24(14-16-25)26-7-5-17-35(29(26)37)19-23-11-9-22(10-12-23)18-28(30(38)39)32-21(2)36/h3-17,28H,18-19H2,1-2H3,(H,32,36)(H,38,39)(H2,33,34,40)