(3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(phenethylamino)chroman-6-carbonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H22N2O2/c1-20(2)19(23)18(22-11-10-14-6-4-3-5-7-14)16-12-15(13-21)8-9-17(16)24-20/h3-9,12,18-19,22-23H,10-11H2,1-2H3/t18-,19+/m0/s1