[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-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=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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