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

Systemtic Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate CAS Name: 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(3-methoxyphenyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylate Traditional Name: 4-(1-cyano-2-ethoxy-2-keto-ethyl)-4-(3-methoxyphenyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-6-28-19(25)18(15-23)22(16-8-7-9-17(14-16)27-5)10-12-24(13-11-22)20(26)29-21(2,3)4/h7-9,14,18H,6,10-13H2,1-5H3