[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)OCC3CCCO3)C

InChI

InChI=1S/C25H28N2O5/c1-18-12-19(2)14-21(13-18)27(10-5-9-26)24(28)17-32-25(29)20-6-3-7-22(15-20)31-16-23-8-4-11-30-23/h3,6-7,12-15,23H,4-5,8,10-11,16-17H2,1-2H3