4-[(4-dimethylaminophenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-dimethylaminophenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(dimethylamino)anilino]-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 4-[4-(dimethylamino)anilino]-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-[4-(dimethylamino)anilino]-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-[4-(dimethylamino)anilino]-2-(2-furfurylamino)-4-keto-butyric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2

InChI

InChI=1S/C17H21N3O4/c1-20(2)13-7-5-12(6-8-13)19-16(21)10-15(17(22)23)18-11-14-4-3-9-24-14/h3-9,15,18H,10-11H2,1-2H3,(H,19,21)(H,22,23)