methyl 3-[(7-bromanyl-1-benzofuran-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(7-bromanyl-1-benzofuran-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(7-bromobenzofuran-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(7-bromo-2-benzofuranyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(7-bromobenzofuran-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)OC

InChI

InChI=1S/C21H20BrNO6/c1-26-16-8-7-12(9-17(16)27-2)15(11-19(24)28-3)23-21(25)18-10-13-5-4-6-14(22)20(13)29-18/h4-10,15H,11H2,1-3H3,(H,23,25)