7-[2-[(E)-3-(3-bromophenyl)-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(3-bromophenyl)-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(3-bromophenyl)-3-hydroxy-prop-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[2-[(E)-3-(3-bromophenyl)-3-hydroxyprop-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(3-bromophenyl)-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[2-[(E)-3-(3-bromophenyl)-3-hydroxy-prop-1-enyl]-5-keto-pyrrolidino]enanthic acid Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(C2=CC(=CC=C2)Br)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N(C1/C=C/C(C2=CC(=CC=C2)Br)O)CCCCCCC(=O)O

InChI

InChI=1S/C20H26BrNO4/c21-16-7-5-6-15(14-16)18(23)11-9-17-10-12-19(24)22(17)13-4-2-1-3-8-20(25)26/h5-7,9,11,14,17-18,23H,1-4,8,10,12-13H2,(H,25,26)/b11-9+