3-(3H-1,2-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-(3H-1,2-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-(3H-1,2-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-(3H-1,2-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-(3H-1,2-benzoxazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-(3H-indoxazen-2-yl)propionic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3O2)OC

InChI

InChI=1S/C18H19NO5/c1-22-16-8-7-12(9-17(16)23-2)14(10-18(20)21)19-11-13-5-3-4-6-15(13)24-19/h3-9,14H,10-11H2,1-2H3,(H,20,21)