ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclohexane-1-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclohexane-1-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclohexanecarboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]cyclohexane-1-carboxylate Traditional Name: 3-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]cyclohexanecarboxylic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C28H34N2O3/c1-3-5-13-27(31)30(25-11-8-10-23(18-25)28(32)33-4-2)20-21-14-16-22(17-15-21)26-12-7-6-9-24(26)19-29/h6-7,9,12,14-17,23,25H,3-5,8,10-11,13,18,20H2,1-2H3