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

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H24N2O3/c1-15-11-16(2)13-19(12-15)24(10-6-9-23)21(25)14-27-22(26)20-8-5-7-17(3)18(20)4/h5,7-8,11-13H,6,10,14H2,1-4H3