2-[2-[3-oxidanylidene-5-(1,2,4-triazin-6-yl)cyclohexen-1-yl]oxyethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[3-oxidanylidene-5-(1,2,4-triazin-6-yl)cyclohexen-1-yl]oxyethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3-oxo-5-(1,2,4-triazin-6-yl)cyclohexen-1-yl]oxyacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-2-[[3-oxo-5-(1,2,4-triazin-6-yl)-1-cyclohexenyl]oxy]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3-oxo-5-(1,2,4-triazin-6-yl)cyclohexen-1-yl]oxyacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[3-keto-5-(1,2,4-triazin-6-yl)cyclohexen-1-yl]oxyacetyl]amino]-3-phenyl-propionic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1OCC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CN=CN=N3

Isomeric SMILES

C1C(CC(=O)C=C1OCC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CN=CN=N3

InChI

InChI=1S/C20H20N4O5/c25-15-7-14(18-10-21-12-22-24-18)8-16(9-15)29-11-19(26)23-17(20(27)28)6-13-4-2-1-3-5-13/h1-5,9-10,12,14,17H,6-8,11H2,(H,23,26)(H,27,28)