3-[2-(2-carboxyethyl)-3-oxidanylidene-6-phenylmethoxy-1H-inden-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-3-oxidanylidene-6-phenylmethoxy-1H-inden-2-yl]propanoic acid Openeye Name: 3-[5-benzyloxy-2-(2-carboxyethyl)-1-oxo-indan-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-3-oxo-6-phenylmethoxy-1H-inden-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-3-oxo-6-phenylmethoxy-1H-inden-2-yl]propanoic acid Traditional Name: 3-[5-benzoxy-2-(2-carboxyethyl)-1-keto-indan-2-yl]propionic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)C1(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)C1(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C22H22O6/c23-19(24)8-10-22(11-9-20(25)26)13-16-12-17(6-7-18(16)21(22)27)28-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,23,24)(H,25,26)