3-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]carbonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[5-(3-methoxyphenyl)isoxazole-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(3-methoxyphenyl)-3-isoxazolyl]-oxomethyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid Traditional Name: 3-[benzyl-[5-(3-methoxyphenyl)isoxazole-3-carbonyl]amino]propionic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N(CCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NO2)C(=O)N(CCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-27-17-9-5-8-16(12-17)19-13-18(22-28-19)21(26)23(11-10-20(24)25)14-15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,24,25)