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

Systemtic Name: 3-[6-bromanyl-3-(2-oxidanyl-2-oxidanylidene-1-piperidin-1-yl-ethyl)indol-1-yl]propanoic acid Openeye Name: 3-[6-bromo-3-[2-hydroxy-2-oxo-1-(1-piperidyl)ethyl]indol-1-yl]propanoic acid CAS Name: 3-[6-bromo-3-[2-hydroxy-2-oxo-1-(1-piperidinyl)ethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[6-bromo-3-(2-hydroxy-2-oxo-1-piperidin-1-ylethyl)indol-1-yl]propanoic acid Traditional Name: 3-[6-bromo-3-(2-hydroxy-2-keto-1-piperidino-ethyl)indol-1-yl]propionic acid Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H21BrN2O4/c19-12-4-5-13-14(11-21(15(13)10-12)9-6-16(22)23)17(18(24)25)20-7-2-1-3-8-20/h4-5,10-11,17H,1-3,6-9H2,(H,22,23)(H,24,25)