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

Systemtic Name: methyl 3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(2-indoxazen-3-ylacetyl)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)C(CC(=O)OC)NC(=O)CC2=NOC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CC2=NOC3=CC=CC=C32)OC

InChI

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