1-[(4-bromophenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]indole-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)methyl]indole-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)methyl]indole-3-carboxylic acid Traditional Name: 1-(4-bromobenzyl)indole-3-carboxylic acid Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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