3-[6-bromanyl-3-[1-[3-(dimethylamino)propylamino]-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[6-bromanyl-3-[1-[3-(dimethylamino)propylamino]-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-[1-[3-(dimethylamino)propylamino]-2-hydroxy-2-oxo-ethyl]indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-[1-[3-(dimethylamino)propylamino]-2-hydroxy-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-[1-[3-(dimethylamino)propylamino]-2-hydroxy-2-oxoethyl]indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-[1-[3-(dimethylamino)propylamino]-2-hydroxy-2-keto-ethyl]indol-1-yl]propionic acid Formula: C18H24BrN3O4 MolecularWeight: 426.30486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(C1=CN(C2=C1C=CC(=C2)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCNC(C1=CN(C2=C1C=CC(=C2)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H24BrN3O4/c1-21(2)8-3-7-20-17(18(25)26)14-11-22(9-6-16(23)24)15-10-12(19)4-5-13(14)15/h4-5,10-11,17,20H,3,6-9H2,1-2H3,(H,23,24)(H,25,26)