3-[3-(2-imidazol-1-ylethyl)-5-oxidanyl-2,3-dihydroindol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-imidazol-1-ylethyl)-5-oxidanyl-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-hydroxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(N1CCC(=O)O)C=CC(=C2)O)CCN3C=CN=C3

Isomeric SMILES

C1C(C2=C(N1CCC(=O)O)C=CC(=C2)O)CCN3C=CN=C3

InChI

InChI=1S/C16H19N3O3/c20-13-1-2-15-14(9-13)12(3-6-18-8-5-17-11-18)10-19(15)7-4-16(21)22/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,21,22)