N-cyano-N'-[(3R,4S)-6-ethynyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]ethanimidamide

Systemtic Name: N-cyano-N'-[(3R,4S)-6-ethynyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]ethanimidamide Openeye Name: N-cyano-N'-[(3R,4S)-6-ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamidine CAS Name: N-cyano-N'-[(3R,4S)-6-ethynyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]ethanimidamide IUPAC Name: N-cyano-N'-[(3R,4S)-6-ethynyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanimidamide Traditional Name: N-cyano-N'-[(3R,4S)-6-ethynyl-3-hydroxy-2,2-dimethyl-chroman-4-yl]acetamidine Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1C(C(OC2=C1C=C(C=C2)C#C)(C)C)O)NC#N

Isomeric SMILES

CC(=N[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C#C)(C)C)O)NC#N

InChI

InChI=1S/C16H17N3O2/c1-5-11-6-7-13-12(8-11)14(19-10(2)18-9-17)15(20)16(3,4)21-13/h1,6-8,14-15,20H,2-4H3,(H,18,19)/t14-,15+/m0/s1