3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(2-ethyl-2-pyrrolidin-1-ylcarbonyl-butanoyl)amino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[2-ethyl-1-oxo-2-[oxo(1-pyrrolidinyl)methyl]butyl]amino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[2-ethyl-2-(pyrrolidine-1-carbonyl)butanoyl]amino]propionic acid Formula: C28H36N2O6 MolecularWeight: 496.59524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)C2=C(C=CC=C2OC)OC)C(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CCC(CC)(C(=O)NC(CC1=CC=C(C=C1)C2=C(C=CC=C2OC)OC)C(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C28H36N2O6/c1-5-28(6-2,27(34)30-16-7-8-17-30)26(33)29-21(25(31)32)18-19-12-14-20(15-13-19)24-22(35-3)10-9-11-23(24)36-4/h9-15,21H,5-8,16-18H2,1-4H3,(H,29,33)(H,31,32)