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

Systemtic Name: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-phenylazanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-4-anilino-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3R,4S)-4-anilino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-4-anilino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-4-anilino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3)O)C

InChI

InChI=1S/C18H18N2O2/c1-18(2)17(21)16(20-13-6-4-3-5-7-13)14-10-12(11-19)8-9-15(14)22-18/h3-10,16-17,20-21H,1-2H3/t16-,17+/m0/s1