2-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(2,5-dimethoxyphenyl)isoxazole-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(2,5-dimethoxyphenyl)-3-isoxazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(2,5-dimethoxyphenyl)isoxazole-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O6/c1-27-14-8-9-18(28-2)15(11-14)19-12-16(23-29-19)20(24)22-17(21(25)26)10-13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,24)(H,25,26)