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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methyl-6-phenylmethoxycarbonyl-indol-3-yl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(6-benzyloxycarbonyl-1-methyl-indol-3-yl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methyl-6-phenylmethoxycarbonyl-3-indolyl)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methyl-6-phenylmethoxycarbonylindol-3-yl)acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(6-carbobenzoxy-1-methyl-indol-3-yl)acetic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H21NO6/c1-27-13-20(24(25(28)29)17-8-10-22-23(12-17)33-15-32-22)19-9-7-18(11-21(19)27)26(30)31-14-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H,28,29)