2-[1-[(4-bromophenyl)methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]acetic acid CAS Name: 2-[1-[(4-bromophenyl)methyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[(4-bromophenyl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[1-(4-bromobenzyl)indol-3-yl]acetic acid Formula: C17H14BrNO2 MolecularWeight: 344.20256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)CC(=O)O

InChI

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