2-[5-bromanyl-2-(hydroxymethyl)-1-(phenylmethyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-(hydroxymethyl)-1-(phenylmethyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-benzyl-5-bromo-2-(hydroxymethyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[5-bromo-2-(hydroxymethyl)-1-(phenylmethyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-benzyl-5-bromo-2-(hydroxymethyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-(1-benzyl-5-bromo-2-methylol-indol-3-yl)-2-keto-acetic acid Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C2CO)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C2CO)C(=O)C(=O)O

InChI

InChI=1S/C18H14BrNO4/c19-12-6-7-14-13(8-12)16(17(22)18(23)24)15(10-21)20(14)9-11-4-2-1-3-5-11/h1-8,21H,9-10H2,(H,23,24)