3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxo-ethyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-keto-ethyl)pyrrol-2-yl]propionic acid Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

Isomeric SMILES

CCOC(=O)CN1C(=CC=C1C2=CC=C(C=C2)Br)CCC(=O)O

InChI

InChI=1S/C17H18BrNO4/c1-2-23-17(22)11-19-14(8-10-16(20)21)7-9-15(19)12-3-5-13(18)6-4-12/h3-7,9H,2,8,10-11H2,1H3,(H,20,21)