[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3/c1-23(18-6-3-2-4-7-18)13-5-12-22-19(24)15-26-20(25)17-10-8-16(14-21)9-11-17/h2-4,6-11H,5,12-13,15H2,1H3,(H,22,24)