4-[2-[2-cyanoethyl-(3-methylphenyl)amino]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[2-cyanoethyl-(3-methylphenyl)amino]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[N-(2-cyanoethyl)-3-methyl-anilino]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[N-(2-cyanoethyl)-3-methylanilino]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[N-(2-cyanoethyl)-3-methylanilino]ethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[N-(2-cyanoethyl)-3-methyl-anilino]ethoxy]-4-keto-butyric acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC#N)CCOC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC#N)CCOC(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O4/c1-13-4-2-5-14(12-13)18(9-3-8-17)10-11-22-16(21)7-6-15(19)20/h2,4-5,12H,3,6-7,9-11H2,1H3,(H,19,20)