2-methyl-2-[(1S)-5-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycyclohexa-2,4-dien-1-yl]propanenitrile

Systemtic Name: 2-methyl-2-[(1S)-5-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxycyclohexa-2,4-dien-1-yl]propanenitrile Openeye Name: 2-[(1S)-5-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]cyclohexa-2,4-dien-1-yl]-2-methyl-propanenitrile CAS Name: 2-methyl-2-[(1S)-5-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-cyclohexa-2,4-dienyl]propanenitrile IUPAC Name: 2-methyl-2-[(1S)-5-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycyclohexa-2,4-dien-1-yl]propanenitrile Traditional Name: 2-[(1S)-5-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]cyclohexa-2,4-dien-1-yl]-2-methyl-propionitrile Formula: C20H31NO MolecularWeight: 301.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=CC=CC(C2)C(C)(C)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC2=CC=C[C@H](C2)C(C)(C)C#N)C(C)C

InChI

InChI=1S/C20H31NO/c1-14(2)18-10-9-15(3)11-19(18)22-17-8-6-7-16(12-17)20(4,5)13-21/h6-8,14-16,18-19H,9-12H2,1-5H3/t15-,16-,18-,19+/m1/s1