1-[3,5-di(butan-2-yl)-4-methoxy-phenyl]-2-isocyano-ethanol

Systemtic Name: 1-[3,5-di(butan-2-yl)-4-methoxy-phenyl]-2-isocyano-ethanol Openeye Name: 2-isocyano-1-(4-methoxy-3,5-disec-butyl-phenyl)ethanol CAS Name: 1-[3,5-di(butan-2-yl)-4-methoxyphenyl]-2-isocyanoethanol IUPAC Name: 1-[3,5-di(butan-2-yl)-4-methoxyphenyl]-2-isocyanoethanol Traditional Name: 2-isocyano-1-(4-methoxy-3,5-disec-butyl-phenyl)ethanol Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)C(C[N+]#[C-])O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)C(C[N+]#[C-])O

InChI

InChI=1S/C18H27NO2/c1-7-12(3)15-9-14(17(20)11-19-5)10-16(13(4)8-2)18(15)21-6/h9-10,12-13,17,20H,7-8,11H2,1-4,6H3