2-[2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)ethylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)ethylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)ethylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)ethylcarbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)ethylcarbamoylamino]-3-phenyl-propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CCNC(=O)NC(CC2=CC=CC=C2)C(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1CCNC(=O)NC(CC2=CC=CC=C2)C(=O)O)C#N)C

InChI

InChI=1S/C20H22N4O4/c1-13-10-14(2)24(18(25)16(13)12-21)9-8-22-20(28)23-17(19(26)27)11-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11H2,1-2H3,(H,26,27)(H2,22,23,28)