(2R)-4-[(4-dimethylaminophenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-2-(2-furfurylammonio)-4-keto-butyrate 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-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=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)/t15-/m1/s1