2-(1,3-benzodioxol-5-yl)-2-(6-ethanoyl-1-methyl-indol-3-yl)ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(6-ethanoyl-1-methyl-indol-3-yl)ethanoic acid Openeye Name: 2-(6-acetyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(6-acetyl-1-methyl-3-indolyl)-2-(1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(6-acetyl-1-methylindol-3-yl)-2-(1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(6-acetyl-1-methyl-indol-3-yl)-2-(1,3-benzodioxol-5-yl)acetic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=CN2C)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C(=CN2C)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H17NO5/c1-11(22)12-3-5-14-15(9-21(2)16(14)7-12)19(20(23)24)13-4-6-17-18(8-13)26-10-25-17/h3-9,19H,10H2,1-2H3,(H,23,24)