4-[(3,5-dimethylphenyl)-(furan-2-ylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3,5-dimethylphenyl)-(furan-2-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[N-(2-furylmethyl)-3,5-dimethyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(2-furanylmethyl)-3,5-dimethylanilino]-4-oxobutanoate IUPAC Name: 4-[N-(furan-2-ylmethyl)-3,5-dimethylanilino]-4-oxobutanoate Traditional Name: 4-[N-(2-furfuryl)-3,5-dimethyl-anilino]-4-keto-butyrate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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