3-[6-bromanyl-3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[6-bromanyl-3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-[1-(4-ethyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-[1-(4-ethylpiperazino)-2-hydroxy-2-keto-ethyl]indol-1-yl]propionic acid Formula: C19H24BrN3O4 MolecularWeight: 438.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H24BrN3O4/c1-2-21-7-9-22(10-8-21)18(19(26)27)15-12-23(6-5-17(24)25)16-11-13(20)3-4-14(15)16/h3-4,11-12,18H,2,5-10H2,1H3,(H,24,25)(H,26,27)