4-[(2-ethyl-6-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-ethyl-6-methyl-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-ethyl-6-methyl-anilino)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-ethyl-6-methylanilino)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-ethyl-6-methylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(2-ethyl-6-methyl-anilino)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C(=O)O)NCC2=CC=CO2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CC(C(=O)O)NCC2=CC=CO2)C

InChI

InChI=1S/C18H22N2O4/c1-3-13-7-4-6-12(2)17(13)20-16(21)10-15(18(22)23)19-11-14-8-5-9-24-14/h4-9,15,19H,3,10-11H2,1-2H3,(H,20,21)(H,22,23)