2-[1-[4-(1,3-benzodioxol-4-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(1,3-benzodioxol-4-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(1,3-benzodioxol-4-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-(1,3-benzodioxol-4-ylmethoxy)phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(1,3-benzodioxol-4-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-(1,3-benzodioxol-4-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=C5C(=CC=C4)OCO5)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4=C5C(=CC=C4)OCO5)CC(=O)O

InChI

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