3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 3-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 3-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C21H18BrNO7 MolecularWeight: 476.27412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC

InChI

InChI=1S/C21H18BrNO7/c1-28-17-5-3-11(9-18(17)29-2)15(10-19(24)25)23-20(26)14-8-12-7-13(22)4-6-16(12)30-21(14)27/h3-9,15H,10H2,1-2H3,(H,23,26)(H,24,25)