prop-2-enyl N-[1-isocyano-4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamate

Systemtic Name: prop-2-enyl N-[1-isocyano-4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamate Openeye Name: allyl N-[1-isocyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]carbamate CAS Name: N-[1-isocyano-4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[1-isocyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate Traditional Name: N-[1-isocyano-4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]carbamic acid allyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)(NC(=O)OCC=C)[N+]#[C-])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCC(CC2)(NC(=O)OCC=C)[N+]#[C-])C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O4/c1-4-18-33-24(31)29-26(27-2)16-14-25(15-17-26,20-10-6-5-7-11-20)19-28-23(30)21-12-8-9-13-22(21)32-3/h4-13H,1,14-19H2,3H3,(H,28,30)(H,29,31)