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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-butylphenyl)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-butylphenyl)acetate CAS Name: 2-(4-butylphenyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-butylphenyl)acetate Traditional Name: 2-(4-butylphenyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H24N2O3/c1-2-3-4-17-5-7-19(8-6-17)15-22(26)27-16-21(25)24-20-11-9-18(10-12-20)13-14-23/h5-12H,2-4,13,15-16H2,1H3,(H,24,25)