[1-[(3-cyano-4-phenyl-phenyl)methyl]-2-(pentanoylamino)cyclohexyl] ethyl carbonate

Systemtic Name: [1-[(3-cyano-4-phenyl-phenyl)methyl]-2-(pentanoylamino)cyclohexyl] ethyl carbonate Openeye Name: [1-[(3-cyano-4-phenyl-phenyl)methyl]-2-(pentanoylamino)cyclohexyl] ethyl carbonate CAS Name: carbonic acid [1-[(3-cyano-4-phenylphenyl)methyl]-2-(1-oxopentylamino)cyclohexyl] ethyl ester IUPAC Name: [1-[(3-cyano-4-phenylphenyl)methyl]-2-(pentanoylamino)cyclohexyl] ethyl carbonate Traditional Name: carbonic acid [1-(3-cyano-4-phenyl-benzyl)-2-(valerylamino)cyclohexyl] ethyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1CCCCC1(CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)OC(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1CCCCC1(CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)OC(=O)OCC

InChI

InChI=1S/C28H34N2O4/c1-3-5-14-26(31)30-25-13-9-10-17-28(25,34-27(32)33-4-2)19-21-15-16-24(23(18-21)20-29)22-11-7-6-8-12-22/h6-8,11-12,15-16,18,25H,3-5,9-10,13-14,17,19H2,1-2H3,(H,30,31)