2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-[4-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]propanoic acid Openeye Name: 2-[(2-bromo-5-methoxy-benzoyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(1-methyl-2-oxopyridin-3-yl)phenyl]propanoic acid Traditional Name: 2-[(2-bromo-5-methoxy-benzoyl)amino]-3-[4-(2-keto-1-methyl-3-pyridyl)phenyl]propionic acid Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CN1C=CC=C(C1=O)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C23H21BrN2O5/c1-26-11-3-4-17(22(26)28)15-7-5-14(6-8-15)12-20(23(29)30)25-21(27)18-13-16(31-2)9-10-19(18)24/h3-11,13,20H,12H2,1-2H3,(H,25,27)(H,29,30)