[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic 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(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)COC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-17(2)29-15-20-6-8-21(9-7-20)24(28)30-16-23(27)26(11-5-10-25)22-13-18(3)12-19(4)14-22/h6-9,12-14,17H,5,11,15-16H2,1-4H3