3-[(5-bromanylindol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(5-bromanylindol-1-yl)methyl]benzoic acid Openeye Name: 3-[(5-bromoindol-1-yl)methyl]benzoic acid CAS Name: 3-[(5-bromo-1-indolyl)methyl]benzoic acid IUPAC Name: 3-[(5-bromoindol-1-yl)methyl]benzoic acid Traditional Name: 3-[(5-bromoindol-1-yl)methyl]benzoic acid Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C16H12BrNO2/c17-14-4-5-15-12(9-14)6-7-18(15)10-11-2-1-3-13(8-11)16(19)20/h1-9H,10H2,(H,19,20)