2-[3-bromanyl-5-(4-methoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[3-bromanyl-5-(4-methoxyphenyl)carbonyl-1-methyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[3-bromo-5-(4-methoxybenzoyl)-1-methyl-pyrrol-2-yl]propanoic acid CAS Name: 2-[3-bromo-5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]propanoic acid IUPAC Name: 2-[3-bromo-5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]propanoic acid Traditional Name: 2-(3-bromo-1-methyl-5-p-anisoyl-pyrrol-2-yl)propionic acid Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)OC)Br)C(=O)O

Isomeric SMILES

CC(C1=C(C=C(N1C)C(=O)C2=CC=C(C=C2)OC)Br)C(=O)O

InChI

InChI=1S/C16H16BrNO4/c1-9(16(20)21)14-12(17)8-13(18(14)2)15(19)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H,20,21)