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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenethylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic 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)CCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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