3-[5-bromanyl-3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-bromanyl-3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-5-bromo-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-5-bromo-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-5-bromoindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-5-bromo-indol-1-yl]propionic acid Formula: C19H22BrN3O5 MolecularWeight: 452.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H22BrN3O5/c1-12(24)21-6-8-22(9-7-21)18(19(27)28)15-11-23(5-4-17(25)26)16-3-2-13(20)10-14(15)16/h2-3,10-11,18H,4-9H2,1H3,(H,25,26)(H,27,28)