[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O3/c26-16-15-19-11-13-22(14-12-19)27-24(28)18-30-25(29)17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15,17-18H2,(H,27,28)