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

Systemtic Name: propyl N-[1-cyano-4-[[(2-methoxyphenyl)carbonylamino]methyl]-4-phenyl-cyclohexyl]carbamate Openeye Name: propyl N-[1-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenyl-cyclohexyl]carbamate CAS Name: N-[1-cyano-4-[[[(2-methoxyphenyl)-oxomethyl]amino]methyl]-4-phenylcyclohexyl]carbamic acid propyl ester IUPAC Name: propyl N-[1-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamate Traditional Name: N-[1-cyano-4-[(o-anisoylamino)methyl]-4-phenyl-cyclohexyl]carbamic acid propyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1(CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCOC(=O)NC1(CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H31N3O4/c1-3-17-33-24(31)29-26(18-27)15-13-25(14-16-26,20-9-5-4-6-10-20)19-28-23(30)21-11-7-8-12-22(21)32-2/h4-12H,3,13-17,19H2,1-2H3,(H,28,30)(H,29,31)