7-bromanyl-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[2-(3-methoxyphenyl)-1-pyrrolidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[2-(3-methoxyphenyl)pyrrolidino]methyl]coumarin Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H20BrNO3/c1-25-17-5-2-4-14(10-17)19-6-3-9-23(19)13-15-11-21(24)26-20-12-16(22)7-8-18(15)20/h2,4-5,7-8,10-12,19H,3,6,9,13H2,1H3