1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoyl-amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoyl-amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methyl-pentanoyl-amino]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[[2-(2-cyanophenyl)-5-benzofuranyl]methyl-(1-oxopentyl)amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[[2-(2-cyanophenyl)benzofuran-5-yl]methyl-valeryl-amino]methyl]cyclohexanecarboxylic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC2=C(C=C1)OC(=C2)C3=CC=CC=C3C#N)CC4(CCCCC4)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC2=C(C=C1)OC(=C2)C3=CC=CC=C3C#N)CC4(CCCCC4)C(=O)O

InChI

InChI=1S/C29H32N2O4/c1-2-3-11-27(32)31(20-29(28(33)34)14-7-4-8-15-29)19-21-12-13-25-23(16-21)17-26(35-25)24-10-6-5-9-22(24)18-30/h5-6,9-10,12-13,16-17H,2-4,7-8,11,14-15,19-20H2,1H3,(H,33,34)