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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(5-bromanyl-1-methyl-indol-3-yl)ethanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methyl-indol-3-yl)acetic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methyl-3-indolyl)acetic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methylindol-3-yl)acetic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(5-bromo-1-methyl-indol-3-yl)acetic acid Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C(C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C(C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H14BrNO4/c1-20-8-13(12-7-11(19)3-4-14(12)20)17(18(21)22)10-2-5-15-16(6-10)24-9-23-15/h2-8,17H,9H2,1H3,(H,21,22)