[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-cyanobenzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

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