N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-(3-methylbutanoyl)piperidine-2-carboxamide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N-(3-methylbutanoyl)piperidine-2-carboxamide Openeye Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-(3-methylbutanoyl)piperidine-2-carboxamide CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N-(3-methyl-1-oxobutyl)-2-piperidinecarboxamide IUPAC Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-(3-methylbutanoyl)piperidine-2-carboxamide Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-isovaleryl-pipecolinamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C(=O)C3CCCCN3

Isomeric SMILES

CC(C)CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C(=O)C3CCCCN3

InChI

InChI=1S/C23H31N3O4/c1-14(2)11-19(27)26(22(29)17-7-5-6-10-25-17)20-16-12-15(13-24)8-9-18(16)30-23(3,4)21(20)28/h8-9,12,14,17,20-21,25,28H,5-7,10-11H2,1-4H3