2-(1,3-benzodioxol-5-yl)-2-(1-methylindol-3-yl)ethanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methylindol-3-yl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methylindol-3-yl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methyl-3-indolyl)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methylindol-3-yl)acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(1-methylindol-3-yl)acetic acid Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H15NO4/c1-19-9-13(12-4-2-3-5-14(12)19)17(18(20)21)11-6-7-15-16(8-11)23-10-22-15/h2-9,17H,10H2,1H3,(H,20,21)