5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)indane-2-carboxylic acid CAS Name: 5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 5-acetamido-1,3-bis(1,3-benzodioxol-5-yl)indane-2-carboxylic acid Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(C(C2C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(C(C2C3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H21NO7/c1-13(28)27-16-4-5-17-18(10-16)24(15-3-7-20-22(9-15)34-12-32-20)25(26(29)30)23(17)14-2-6-19-21(8-14)33-11-31-19/h2-10,23-25H,11-12H2,1H3,(H,27,28)(H,29,30)