tert-butyl 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-oxo-ethyl)piperidine-1-carboxylate CAS Name: 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-oxoethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-oxoethyl)piperidine-1-carboxylate Traditional Name: 4-(3-chlorophenyl)-4-(1-cyano-2-ethoxy-2-keto-ethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4/c1-5-27-18(25)17(14-23)21(15-7-6-8-16(22)13-15)9-11-24(12-10-21)19(26)28-20(2,3)4/h6-8,13,17H,5,9-12H2,1-4H3