5-bromanyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-bromo-indole-2-carboxylic acid CAS Name: 5-bromo-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-bromoindole-2-carboxylic acid Traditional Name: 1-benzyl-5-bromo-indole-2-carboxylic acid Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C=C2C(=O)O

InChI

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