6-bromanyl-3-[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]chromen-2-one Openeye Name: 6-bromo-3-[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethoxy]phenyl]chromen-2-one CAS Name: 6-bromo-3-[4-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethoxy]phenyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]chromen-2-one Traditional Name: 6-bromo-3-[4-[2-keto-2-[(2S)-2-methylolpyrrolidino]ethoxy]phenyl]coumarin Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CO

Isomeric SMILES

C1C[C@H](N(C1)C(=O)COC2=CC=C(C=C2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CO

InChI

InChI=1S/C22H20BrNO5/c23-16-5-8-20-15(10-16)11-19(22(27)29-20)14-3-6-18(7-4-14)28-13-21(26)24-9-1-2-17(24)12-25/h3-8,10-11,17,25H,1-2,9,12-13H2/t17-/m0/s1