2-(1,3-benzodioxol-5-yl)-2-(1-ethyl-6-methoxycarbonyl-indol-3-yl)ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(1-ethyl-6-methoxycarbonyl-indol-3-yl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(1-ethyl-6-methoxycarbonyl-indol-3-yl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(1-ethyl-6-methoxycarbonyl-3-indolyl)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(1-ethyl-6-methoxycarbonylindol-3-yl)acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(6-carbomethoxy-1-ethyl-indol-3-yl)acetic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=O)OC)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=O)OC)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H19NO6/c1-3-22-10-15(14-6-4-13(8-16(14)22)21(25)26-2)19(20(23)24)12-5-7-17-18(9-12)28-11-27-17/h4-10,19H,3,11H2,1-2H3,(H,23,24)