[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(3,3-diphenylpropylamino)-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(CCNC(=O)COC(=O)C2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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