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

Systemtic Name: 2-[3-bromanyl-1-ethyl-5-(4-methoxyphenyl)carbonyl-pyrrol-2-yl]propanoic acid Openeye Name: 2-[3-bromo-1-ethyl-5-(4-methoxybenzoyl)pyrrol-2-yl]propanoic acid CAS Name: 2-[3-bromo-1-ethyl-5-[(4-methoxyphenyl)-oxomethyl]-2-pyrrolyl]propanoic acid IUPAC Name: 2-[3-bromo-1-ethyl-5-(4-methoxybenzoyl)pyrrol-2-yl]propanoic acid Traditional Name: 2-(3-bromo-1-ethyl-5-p-anisoyl-pyrrol-2-yl)propionic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C(C)C(=O)O)Br)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCN1C(=CC(=C1C(C)C(=O)O)Br)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18BrNO4/c1-4-19-14(9-13(18)15(19)10(2)17(21)22)16(20)11-5-7-12(23-3)8-6-11/h5-10H,4H2,1-3H3,(H,21,22)