tert-butyl 3-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C23H31N3O5/c1-22(2,3)31-21(29)26-10-6-7-15(13-26)20(28)25-18-16-11-14(12-24)8-9-17(16)30-23(4,5)19(18)27/h8-9,11,15,18-19,27H,6-7,10,13H2,1-5H3,(H,25,28)