tert-butyl 4-[4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)piperidin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)piperidin-1-yl]benzoate Openeye Name: tert-butyl 4-[4-(1-cyano-2-methoxy-2-oxo-ethyl)-1-piperidyl]benzoate CAS Name: 4-[4-(1-cyano-2-methoxy-2-oxoethyl)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-cyano-2-methoxy-2-oxoethyl)piperidin-1-yl]benzoate Traditional Name: 4-[4-(1-cyano-2-keto-2-methoxy-ethyl)piperidino]benzoic acid tert-butyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(CC2)C(C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(CC2)C(C#N)C(=O)OC

InChI

InChI=1S/C20H26N2O4/c1-20(2,3)26-18(23)15-5-7-16(8-6-15)22-11-9-14(10-12-22)17(13-21)19(24)25-4/h5-8,14,17H,9-12H2,1-4H3