3-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-[(5-bromofuran-2-carbonyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid CAS Name: 3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid IUPAC Name: 3-[(5-bromofuran-2-carbonyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid Traditional Name: 3-[(5-bromo-2-furoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid Formula: C17H18BrNO6 MolecularWeight: 412.23192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(O2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(O2)Br)OC

InChI

InChI=1S/C17H18BrNO6/c1-3-24-12-5-4-10(8-14(12)23-2)11(9-16(20)21)19-17(22)13-6-7-15(18)25-13/h4-8,11H,3,9H2,1-2H3,(H,19,22)(H,20,21)