[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)OCCC(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)OCCC(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C21H22N2O4/c1-14-10-15(2)21(16(3)11-14)27-13-20(25)26-9-8-19(24)23-18-7-5-4-6-17(18)12-22/h4-7,10-11H,8-9,13H2,1-3H3,(H,23,24)