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

Systemtic Name: 2-[5-bromanyl-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-5-bromo-indol-3-yl)acetic acid CAS Name: 2-[5-bromo-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-5-bromoindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-5-bromo-indol-3-yl)acetic acid Formula: C17H14BrNO2 MolecularWeight: 344.20256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Br)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Br)CC(=O)O

InChI

InChI=1S/C17H14BrNO2/c18-14-6-7-16-15(9-14)13(8-17(20)21)11-19(16)10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,20,21)