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

Systemtic Name: methyl N-[1-isocyano-4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-25-24(27-22(29)31-3)15-13-23(14-16-24,18-9-5-4-6-10-18)17-26-21(28)19-11-7-8-12-20(19)30-2/h4-12H,13-17H2,2-3H3,(H,26,28)(H,27,29)