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

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-phenylazanylethylamino)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-4-(2-anilinoethylamino)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S,4R)-4-(2-anilinoethylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-4-(2-anilinoethylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-4-(2-anilinoethylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NCCNC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NCCNC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H23N3O2/c1-20(2)19(24)18(16-12-14(13-21)8-9-17(16)25-20)23-11-10-22-15-6-4-3-5-7-15/h3-9,12,18-19,22-24H,10-11H2,1-2H3/t18-,19+/m1/s1