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

Systemtic Name: 4-[(2,3-dimethylphenyl)-(furan-2-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[N-(2-furylmethyl)-2,3-dimethyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(2-furanylmethyl)-2,3-dimethylanilino]-4-oxobutanoate IUPAC Name: 4-[N-(furan-2-ylmethyl)-2,3-dimethylanilino]-4-oxobutanoate Traditional Name: 4-[N-(2-furfuryl)-2,3-dimethyl-anilino]-4-keto-butyrate Formula: C17H18NO4- MolecularWeight: 300.32912

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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)/p-1