sodium 3-[6-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]propanoate

Systemtic Name: sodium 3-[6-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: sodium 3-[6-(imidazol-1-ylmethyl)indolin-1-yl]propanoate CAS Name: sodium 3-[6-(1-imidazolylmethyl)-2,3-dihydroindol-1-yl]propanoate IUPAC Name: sodium 3-[6-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]propanoate Traditional Name: sodium 3-[6-(imidazol-1-ylmethyl)indolin-1-yl]propionate Formula: C15H16N3NaO2 MolecularWeight: 293.29621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)CN3C=CN=C3)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)CN3C=CN=C3)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C15H17N3O2.Na/c19-15(20)4-7-18-6-3-13-2-1-12(9-14(13)18)10-17-8-5-16-11-17;/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,19,20);/q;+1/p-1