3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-benzoyl)amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)amino]-3-(4-methoxyphenyl)propionic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5/c1-24-13-6-3-11(4-7-13)15(10-17(21)22)20-18(23)12-5-8-16(25-2)14(19)9-12/h3-9,15H,10H2,1-2H3,(H,20,23)(H,21,22)