(1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methyl-hex-1-enyl]-4-methyl-1-propan-2-yl-cyclohexane

Systemtic Name: (1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methyl-hex-1-enyl]-4-methyl-1-propan-2-yl-cyclohexane Openeye Name: (1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methyl-hex-1-enyl]-1-isopropyl-4-methyl-cyclohexane CAS Name: (1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methylhex-1-enyl]-4-methyl-1-propan-2-ylcyclohexane IUPAC Name: (1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methylhex-1-enyl]-4-methyl-1-propan-2-ylcyclohexane Traditional Name: (1S,2S,4R)-2-[(E,3R)-3-isocyanato-3-methyl-hex-1-enyl]-1-isopropyl-4-methyl-cyclohexane Formula: C18H31NO MolecularWeight: 277.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C=CC1CC(CCC1C(C)C)C)N=C=O

Isomeric SMILES

CCC[C@](C)(/C=C/[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)N=C=O

InChI

InChI=1S/C18H31NO/c1-6-10-18(5,19-13-20)11-9-16-12-15(4)7-8-17(16)14(2)3/h9,11,14-17H,6-8,10,12H2,1-5H3/b11-9+/t15-,16-,17+,18-/m1/s1