(phenylmethyl) N-[(1R,2S)-2-[[cyano-(2,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1R,2S)-2-[[cyano-(2,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate Openeye Name: benzyl N-[(1R,2S)-2-[[cyano-(2,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate CAS Name: N-[(1R,2S)-2-[[[cyano-(2,4-dimethoxyphenyl)methyl]amino]-oxomethyl]cyclohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1R,2S)-2-[[cyano-(2,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexyl]carbamate Traditional Name: N-[(1R,2S)-2-[[cyano-(2,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexyl]carbamic acid benzyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C#N)NC(=O)C2CCCCC2NC(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C#N)NC(=O)[C@H]2CCCC[C@H]2NC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H29N3O5/c1-31-18-12-13-19(23(14-18)32-2)22(15-26)27-24(29)20-10-6-7-11-21(20)28-25(30)33-16-17-8-4-3-5-9-17/h3-5,8-9,12-14,20-22H,6-7,10-11,16H2,1-2H3,(H,27,29)(H,28,30)/t20-,21+,22?/m0/s1