[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2CCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2CCC2)C

InChI

InChI=1S/C18H22N2O3/c1-13-9-14(2)11-16(10-13)20(8-4-7-19)17(21)12-23-18(22)15-5-3-6-15/h9-11,15H,3-6,8,12H2,1-2H3