2-[1-(1,3-benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-(5-methoxy-2-methyl-1-piperonyloyl-indol-3-yl)acetic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C20H17NO6/c1-11-14(9-19(22)23)15-8-13(25-2)4-5-16(15)21(11)20(24)12-3-6-17-18(7-12)27-10-26-17/h3-8H,9-10H2,1-2H3,(H,22,23)