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

Systemtic Name: 4-chloranyl-N-[(3R,4S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]butanamide Openeye Name: 4-chloro-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]butanamide CAS Name: 4-chloro-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]butanamide IUPAC Name: 4-chloro-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]butanamide Traditional Name: 4-chloro-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]butyramide Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)CCCCl)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NC(=O)CCCCl)O)C

InChI

InChI=1S/C16H19ClN2O3/c1-16(2)15(21)14(19-13(20)4-3-7-17)11-8-10(9-18)5-6-12(11)22-16/h5-6,8,14-15,21H,3-4,7H2,1-2H3,(H,19,20)/t14-,15+/m0/s1