N-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]pentanamide

Systemtic Name: N-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]pentanamide Openeye Name: N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]pentanamide CAS Name: N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]pentanamide IUPAC Name: N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pentanamide Traditional Name: N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]valeramide Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CCCCC(=O)NC1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C17H22N2O3/c1-4-5-6-14(20)19-15-12-9-11(10-18)7-8-13(12)22-17(2,3)16(15)21/h7-9,15-16,21H,4-6H2,1-3H3,(H,19,20)/t15?,16-/m0/s1