tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-phenyl-piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-phenylpiperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-5-26-18(24)17(15-22)21(16-9-7-6-8-10-16)11-13-23(14-12-21)19(25)27-20(2,3)4/h6-10,17H,5,11-14H2,1-4H3