methyl 3-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carbonyl]amino]propanoate Traditional Name: 3-[(2-veratryl-1,3-benzoxazole-6-carbonyl)amino]propionic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCC(=O)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-26-16-7-4-13(10-18(16)27-2)11-19-23-15-6-5-14(12-17(15)29-19)21(25)22-9-8-20(24)28-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,22,25)