4-bromanyl-5-[4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[4-[(2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-[(3-allyl-2-hydroxy-phenyl)methyl]piperazin-1-yl]-4-bromo-benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-[4-[(2-hydroxy-3-prop-2-enylphenyl)methyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-[4-[(2-hydroxy-3-prop-2-enylphenyl)methyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3-allyl-2-hydroxy-benzyl)piperazino]-4-bromo-coumarilic acid Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC=C1)CN2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br)O

Isomeric SMILES

C=CCC1=C(C(=CC=C1)CN2CCN(CC2)C3=C(C4=C(C=C3)OC(=C4)C(=O)O)Br)O

InChI

InChI=1S/C23H23BrN2O4/c1-2-4-15-5-3-6-16(22(15)27)14-25-9-11-26(12-10-25)18-7-8-19-17(21(18)24)13-20(30-19)23(28)29/h2-3,5-8,13,27H,1,4,9-12,14H2,(H,28,29)