[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenoxy)ethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-propan-2-ylphenoxy)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-isopropylphenoxy)acetate CAS Name: 2-(4-propan-2-ylphenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropylphenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H22N2O4/c1-15(2)17-5-9-19(10-6-17)26-14-21(25)27-13-20(24)23-18-7-3-16(4-8-18)11-12-22/h3-10,15H,11,13-14H2,1-2H3,(H,23,24)