(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-[4-(2-keto-2-pyrrolidino-ethoxy)phenyl]prop-2-en-1-one Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)N3CCCC3)Br)O

InChI

InChI=1S/C22H22BrNO5/c1-28-20-13-15(12-18(23)22(20)27)4-9-19(25)16-5-7-17(8-6-16)29-14-21(26)24-10-2-3-11-24/h4-9,12-13,27H,2-3,10-11,14H2,1H3/b9-4+