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

Systemtic Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]cyclohexanecarboxylate CAS Name: 1-[[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[[4-(2-cyanophenyl)benzyl]-valeryl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCCC3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCCC3)C(=O)OCC

InChI

InChI=1S/C29H36N2O3/c1-3-5-13-27(32)31(22-29(28(33)34-4-2)18-9-6-10-19-29)21-23-14-16-24(17-15-23)26-12-8-7-11-25(26)20-30/h7-8,11-12,14-17H,3-6,9-10,13,18-19,21-22H2,1-2H3