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

Systemtic Name: 3-[6-bromanyl-3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]indol-1-yl]propionic acid Formula: C21H26BrN3O4 MolecularWeight: 464.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H26BrN3O4/c1-14(2)12-23-7-9-24(10-8-23)20(21(28)29)17-13-25(6-5-19(26)27)18-11-15(22)3-4-16(17)18/h3-4,11,13,20H,1,5-10,12H2,2H3,(H,26,27)(H,28,29)