3-[(1E,2S)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]butan-2-yl]pyridine

Systemtic Name: 3-[(1E,2S)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-yl-cyclohexylidene]butan-2-yl]pyridine Openeye Name: 3-[(1S)-1-[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]methyl]-2,2-dimethyl-propyl]pyridine CAS Name: 3-[(1E,2S)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]pyridine IUPAC Name: 3-[(1E,2S)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]pyridine Traditional Name: 3-[(1S)-1-[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]methyl]-2,2-dimethyl-propyl]pyridine Formula: C21H33N MolecularWeight: 299.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=CC(C2=CN=CC=C2)C(C)(C)C)C1)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](/C(=C/[C@H](C2=CN=CC=C2)C(C)(C)C)/C1)C(C)C

InChI

InChI=1S/C21H33N/c1-15(2)19-10-9-16(3)12-18(19)13-20(21(4,5)6)17-8-7-11-22-14-17/h7-8,11,13-16,19-20H,9-10,12H2,1-6H3/b18-13+/t16-,19+,20-/m1/s1