[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-phenethylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-[N-(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)CCC2=CC=CC=C2C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

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