4-(6-bromanyl-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(6-bromanyl-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid Openeye Name: 4-(6-bromo-3-hydroxy-chroman-4-yl)piperazine-1-carboxylic acid CAS Name: 4-(6-bromo-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(6-bromo-3-hydroxy-3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylic acid Traditional Name: 4-(6-bromo-3-hydroxy-chroman-4-yl)piperazine-1-carboxylic acid Formula: C14H17BrN2O4 MolecularWeight: 357.19978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C(COC3=C2C=C(C=C3)Br)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2C(COC3=C2C=C(C=C3)Br)O)C(=O)O

InChI

InChI=1S/C14H17BrN2O4/c15-9-1-2-12-10(7-9)13(11(18)8-21-12)16-3-5-17(6-4-16)14(19)20/h1-2,7,11,13,18H,3-6,8H2,(H,19,20)