ethyl 1-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H29N3O3/c1-4-27-21(26)18-7-5-9-23(14-18)15-20(25)24(10-6-8-22)19-12-16(2)11-17(3)13-19/h11-13,18H,4-7,9-10,14-15H2,1-3H3