1-phenylmethoxycarbonyl-2,3-dihydroindol-1-ium-1-carboxylic acid

Systemtic Name: 1-phenylmethoxycarbonyl-2,3-dihydroindol-1-ium-1-carboxylic acid Openeye Name: 1-benzyloxycarbonylindolin-1-ium-1-carboxylic acid CAS Name: 1-phenylmethoxycarbonyl-2,3-dihydroindol-1-ium-1-carboxylic acid IUPAC Name: 1-phenylmethoxycarbonyl-2,3-dihydroindol-1-ium-1-carboxylic acid Traditional Name: 1-carbobenzoxyindolin-1-ium-1-carboxylic acid Formula: C17H16NO4+ MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=CC=CC=C21)(C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[N+](C2=CC=CC=C21)(C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15NO4/c19-16(20)18(11-10-14-8-4-5-9-15(14)18)17(21)22-12-13-6-2-1-3-7-13/h1-9H,10-12H2/p+1