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

Systemtic Name: N-cyano-N'-[(3R,4S)-2,2-dimethyl-3-oxidanyl-6-phenyl-3,4-dihydrochromen-4-yl]ethanimidamide Openeye Name: N-cyano-N'-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-phenyl-chroman-4-yl]acetamidine CAS Name: N-cyano-N'-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl]ethanimidamide IUPAC Name: N-cyano-N'-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-phenyl-3,4-dihydrochromen-4-yl]ethanimidamide Traditional Name: N-cyano-N'-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-phenyl-chroman-4-yl]acetamidine Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1C(C(OC2=C1C=C(C=C2)C3=CC=CC=C3)(C)C)O)NC#N

Isomeric SMILES

CC(=N[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C3=CC=CC=C3)(C)C)O)NC#N

InChI

InChI=1S/C20H21N3O2/c1-13(22-12-21)23-18-16-11-15(14-7-5-4-6-8-14)9-10-17(16)25-20(2,3)19(18)24/h4-11,18-19,24H,1-3H3,(H,22,23)/t18-,19+/m0/s1