4-[[5-(3,5-dimethylphenoxy)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(3,5-dimethylphenoxy)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(3,5-dimethylphenoxy)-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(3,5-dimethylphenoxy)-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(3,5-dimethylphenoxy)pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-(3,5-dimethylphenoxy)-2-pyridyl]amino]-4-keto-butyric acid Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CN=C(C=C2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CN=C(C=C2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C17H18N2O4/c1-11-7-12(2)9-14(8-11)23-13-3-4-15(18-10-13)19-16(20)5-6-17(21)22/h3-4,7-10H,5-6H2,1-2H3,(H,21,22)(H,18,19,20)