[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-15-11-16(2)17(3)20(12-15)27-10-4-9-24-21(25)14-28-22(26)19-7-5-18(13-23)6-8-19/h5-8,11-12H,4,9-10,14H2,1-3H3,(H,24,25)