3-(3,4-dimethoxyphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionic acid Formula: C21H19NO7 MolecularWeight: 397.37806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=CC=CC=C3OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=CC=CC=C3OC2=O)OC

InChI

InChI=1S/C21H19NO7/c1-27-17-8-7-12(10-18(17)28-2)15(11-19(23)24)22-20(25)14-9-13-5-3-4-6-16(13)29-21(14)26/h3-10,15H,11H2,1-2H3,(H,22,25)(H,23,24)