2-methyl-2-[(1S)-5-[(1'S,3'S,4'R)-4',7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-3'-yl]oxycyclohexa-2,4-dien-1-yl]propanenitrile

Systemtic Name: 2-methyl-2-[(1S)-5-[(1'S,3'S,4'R)-4',7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-3'-yl]oxycyclohexa-2,4-dien-1-yl]propanenitrile Openeye Name: 2-methyl-2-[(1S)-5-[(1'R,2'S,4'S)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-norbornane]-2'-yl]oxycyclohexa-2,4-dien-1-yl]propanenitrile CAS Name: 2-methyl-2-[(1S)-5-[[(1'S,3'S,4'R)-4',7',7'-trimethyl-3'-spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]yl]oxy]-1-cyclohexa-2,4-dienyl]propanenitrile IUPAC Name: 2-methyl-2-[(1S)-5-[(1'S,3'S,4'R)-4',7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-3'-yl]oxycyclohexa-2,4-dien-1-yl]propanenitrile Traditional Name: 2-methyl-2-[(1S)-5-[(1'R,2'S,4'S)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-norbornane]-2'-yl]oxycyclohexa-2,4-dien-1-yl]propionitrile Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C23OCCO3)OC4=CC=CC(C4)C(C)(C)C#N)C)C

Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)C3([C@H]2OC4=CC=C[C@H](C4)C(C)(C)C#N)OCCO3

InChI

InChI=1S/C22H31NO3/c1-19(2,14-23)15-7-6-8-16(13-15)26-18-21(5)10-9-17(20(21,3)4)22(18)24-11-12-25-22/h6-8,15,17-18H,9-13H2,1-5H3/t15-,17+,18+,21+/m1/s1