2-(4-bromophenyl)-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(4-bromophenyl)-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(4-bromophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]chromen-4-one CAS Name: 2-(4-bromophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-1-benzopyran-4-one IUPAC Name: 2-(4-bromophenyl)-5,7-dihydroxy-8-[2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one Traditional Name: 2-(4-bromophenyl)-5,7-dihydroxy-8-(1-methyl-2-methylol-pyrrolidin-3-yl)chromone Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)Br)O)O

Isomeric SMILES

CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)Br)O)O

InChI

InChI=1S/C21H20BrNO5/c1-23-7-6-13(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-2-4-12(22)5-3-11/h2-5,8-9,13-14,24-26H,6-7,10H2,1H3