3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamoylamino]butanoic acid Openeye Name: 3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)anilino]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-(2-oxochromen-3-yl)phenyl]carbamoylamino]butanoic acid Traditional Name: 2-[[3-(2-ketochromen-3-yl)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H20N2O5/c1-12(2)18(19(24)25)23-21(27)22-15-8-5-7-13(10-15)16-11-14-6-3-4-9-17(14)28-20(16)26/h3-12,18H,1-2H3,(H,24,25)(H2,22,23,27)