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

Systemtic Name: 3-[5-bromanyl-3-(1-morpholin-4-yl-2-oxidanyl-2-oxidanylidene-ethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-bromo-3-(2-hydroxy-1-morpholino-2-oxo-ethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-bromo-3-[2-hydroxy-1-(4-morpholinyl)-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[5-bromo-3-(2-hydroxy-1-morpholin-4-yl-2-oxoethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-bromo-3-(2-hydroxy-2-keto-1-morpholino-ethyl)indol-1-yl]propionic acid Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C(C2=CN(C3=C2C=C(C=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H19BrN2O5/c18-11-1-2-14-12(9-11)13(10-20(14)4-3-15(21)22)16(17(23)24)19-5-7-25-8-6-19/h1-2,9-10,16H,3-8H2,(H,21,22)(H,23,24)