4-[(2,3-dimethylphenyl)-(furan-2-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,3-dimethylphenyl)-(furan-2-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-(2-furylmethyl)-2,3-dimethyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[N-(2-furanylmethyl)-2,3-dimethylanilino]-4-oxobutanoic acid IUPAC Name: 4-[N-(furan-2-ylmethyl)-2,3-dimethylanilino]-4-oxobutanoic acid Traditional Name: 4-[N-(2-furfuryl)-2,3-dimethyl-anilino]-4-keto-butyric acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC2=CC=CO2)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC2=CC=CO2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C17H19NO4/c1-12-5-3-7-15(13(12)2)18(11-14-6-4-10-22-14)16(19)8-9-17(20)21/h3-7,10H,8-9,11H2,1-2H3,(H,20,21)