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

Systemtic Name: tert-butyl 2-[(3-acetyloxy-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[(3-acetoxy-6-cyano-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 2-[[(3-acetyloxy-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-acetyloxy-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 2-[(3-acetoxy-6-cyano-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)NC(=O)C3CCCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)NC(=O)C3CCCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O6/c1-15(29)32-21-20(17-13-16(14-26)10-11-19(17)33-25(21,5)6)27-22(30)18-9-7-8-12-28(18)23(31)34-24(2,3)4/h10-11,13,18,20-21H,7-9,12H2,1-6H3,(H,27,30)