[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3O3/c22-14-16-5-4-6-17(13-16)21(26)27-15-20(25)23-18-7-9-19(10-8-18)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,15H2,(H,23,25)