3-(2-oxidanyl-2-oxidanylidene-1-pyrrolidin-1-yl-ethyl)-1-(phenylmethyl)indole-5-carboxylic acid

Systemtic Name: 3-(2-oxidanyl-2-oxidanylidene-1-pyrrolidin-1-yl-ethyl)-1-(phenylmethyl)indole-5-carboxylic acid Openeye Name: 1-benzyl-3-(2-hydroxy-2-oxo-1-pyrrolidin-1-yl-ethyl)indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-(1-pyrrolidinyl)ethyl]-1-(phenylmethyl)-5-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2-hydroxy-2-oxo-1-pyrrolidin-1-ylethyl)indole-5-carboxylic acid Traditional Name: 1-benzyl-3-(2-hydroxy-2-keto-1-pyrrolidino-ethyl)indole-5-carboxylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N2O4/c25-21(26)16-8-9-19-17(12-16)18(20(22(27)28)23-10-4-5-11-23)14-24(19)13-15-6-2-1-3-7-15/h1-3,6-9,12,14,20H,4-5,10-11,13H2,(H,25,26)(H,27,28)