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

Systemtic Name: 3-[5-bromanyl-3-[1-(4-methanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[5-bromo-3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]indol-1-yl]propanoic acid CAS Name: 3-[5-bromo-3-[1-(4-formyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[5-bromo-3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]indol-1-yl]propanoic acid Traditional Name: 3-[5-bromo-3-[1-(4-formylpiperazino)-2-hydroxy-2-keto-ethyl]indol-1-yl]propionic acid Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H20BrN3O5/c19-12-1-2-15-13(9-12)14(10-22(15)4-3-16(24)25)17(18(26)27)21-7-5-20(11-23)6-8-21/h1-2,9-11,17H,3-8H2,(H,24,25)(H,26,27)