[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenoxy)butanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C24H28N2O4/c1-18-7-9-22(10-8-18)29-13-4-6-24(28)30-17-23(27)26(12-5-11-25)21-15-19(2)14-20(3)16-21/h7-10,14-16H,4-6,12-13,17H2,1-3H3