3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(1-bromanylpentan-3-yl)-2-oxidanyl-pyran-4-one

Systemtic Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(1-bromanylpentan-3-yl)-2-oxidanyl-pyran-4-one Openeye Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(3-bromo-1-ethyl-propyl)-2-hydroxy-pyran-4-one CAS Name: 3-[(3-aminophenyl)-cyclopropylmethyl]-6-(1-bromopentan-3-yl)-2-hydroxy-4-pyranone IUPAC Name: 3-[(3-aminophenyl)-cyclopropylmethyl]-6-(1-bromopentan-3-yl)-2-hydroxypyran-4-one Traditional Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(3-bromo-1-ethyl-propyl)-2-hydroxy-pyran-4-one Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCBr)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)N

Isomeric SMILES

CCC(CCBr)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H24BrNO3/c1-2-12(8-9-21)17-11-16(23)19(20(24)25-17)18(13-6-7-13)14-4-3-5-15(22)10-14/h3-5,10-13,18,24H,2,6-9,22H2,1H3