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

Systemtic Name: ethanedioic acid; 3-[3-(2-imidazol-1-ylethyl)-5-oxidanyl-2,3-dihydroindol-1-yl]propanoate Openeye Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate; oxalic acid CAS Name: 3-[5-hydroxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoate; oxalic acid IUPAC Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate; oxalic acid Traditional Name: 3-[5-hydroxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionate; oxalic acid Formula: C18H20N3O7- MolecularWeight: 390.3673

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(N1CCC(=O)[O-])C=CC(=C2)O)CCN3C=CN=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(C2=C(N1CCC(=O)[O-])C=CC(=C2)O)CCN3C=CN=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3O3.C2H2O4/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;3-1(4)2(5)6/h1-2,5,8-9,11-12,20H,3-4,6-7,10H2,(H,21,22);(H,3,4)(H,5,6)/p-1