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

Systemtic Name: hexyl 2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: hexyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 2-[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 2-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoyl]piperidine-1-carboxylic acid hexyl ester Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1CCCCC1C(=O)NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCCCCCOC(=O)N1CCCCC1C(=O)NC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C25H35N3O5/c1-4-5-6-9-14-32-24(31)28-13-8-7-10-19(28)23(30)27-21-18-15-17(16-26)11-12-20(18)33-25(2,3)22(21)29/h11-12,15,19,21-22,29H,4-10,13-14H2,1-3H3,(H,27,30)