ethene; 4-isocyanato-4-[(3-methoxyphenyl)methyl]cyclohexan-1-one

Systemtic Name: ethene; 4-isocyanato-4-[(3-methoxyphenyl)methyl]cyclohexan-1-one Openeye Name: ethylene; 4-isocyanato-4-[(3-methoxyphenyl)methyl]cyclohexanone CAS Name: ethene; 4-isocyanato-4-[(3-methoxyphenyl)methyl]-1-cyclohexanone IUPAC Name: ethene; 4-isocyanato-4-[(3-methoxyphenyl)methyl]cyclohexan-1-one Traditional Name: ethylene; 4-isocyanato-4-m-anisyl-cyclohexanone Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC(=O)CC2)N=C=O.C=C

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCC(=O)CC2)N=C=O.C=C

InChI

InChI=1S/C15H17NO3.C2H4/c1-19-14-4-2-3-12(9-14)10-15(16-11-17)7-5-13(18)6-8-15;1-2/h2-4,9H,5-8,10H2,1H3;1-2H2