(3S,4S)-4-bromanyl-2,2-dimethyl-3-(oxan-2-yloxy)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4S)-4-bromanyl-2,2-dimethyl-3-(oxan-2-yloxy)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4S)-4-bromo-2,2-dimethyl-3-tetrahydropyran-2-yloxy-chromane-6-carbonitrile CAS Name: (3S,4S)-4-bromo-2,2-dimethyl-3-(2-oxanyloxy)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4S)-4-bromo-2,2-dimethyl-3-(oxan-2-yloxy)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4S)-4-bromo-2,2-dimethyl-3-tetrahydropyran-2-yloxy-chroman-6-carbonitrile Formula: C17H20BrNO3 MolecularWeight: 366.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)Br)OC3CCCCO3)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)Br)OC3CCCCO3)C

InChI

InChI=1S/C17H20BrNO3/c1-17(2)16(21-14-5-3-4-8-20-14)15(18)12-9-11(10-19)6-7-13(12)22-17/h6-7,9,14-16H,3-5,8H2,1-2H3/t14?,15-,16+/m0/s1