2-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid

Systemtic Name: 2-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid Openeye Name: 2-[[[2-(2-cyanophenyl)benzofuran-5-yl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoic acid CAS Name: 2-[[[2-(2-cyanophenyl)-5-benzofuranyl]methyl-(1-oxopentyl)amino]methyl]-2-ethylbutanoic acid IUPAC Name: 2-[[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl-pentanoylamino]methyl]-2-ethylbutanoic acid Traditional Name: 2-[[[2-(2-cyanophenyl)benzofuran-5-yl]methyl-valeryl-amino]methyl]-2-ethyl-butyric acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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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)CC(CC)(CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-4-7-12-26(31)30(19-28(5-2,6-3)27(32)33)18-20-13-14-24-22(15-20)16-25(34-24)23-11-9-8-10-21(23)17-29/h8-11,13-16H,4-7,12,18-19H2,1-3H3,(H,32,33)