methyl 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-piperidin-3-yl-amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-piperidin-3-yl-amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-(3-piperidyl)amino]ethyl]benzoate CAS Name: 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-(3-piperidinyl)amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-piperidin-3-ylamino]ethyl]benzoate Traditional Name: 4-[2-[[1,1-dicyano-2-(methylamino)ethyl]-(3-piperidyl)amino]ethyl]benzoic acid methyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C#N)(C#N)N(CCC1=CC=C(C=C1)C(=O)OC)C2CCCNC2

Isomeric SMILES

CNCC(C#N)(C#N)N(CCC1=CC=C(C=C1)C(=O)OC)C2CCCNC2

InChI

InChI=1S/C20H27N5O2/c1-23-15-20(13-21,14-22)25(18-4-3-10-24-12-18)11-9-16-5-7-17(8-6-16)19(26)27-2/h5-8,18,23-24H,3-4,9-12,15H2,1-2H3