(phenylmethyl) 5-bromanylindole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-bromanylindole-1-carboxylate Openeye Name: benzyl 5-bromoindole-1-carboxylate CAS Name: 5-bromo-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-bromoindole-1-carboxylate Traditional Name: 5-bromoindole-1-carboxylic acid benzyl ester Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=CC3=C2C=CC(=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=CC3=C2C=CC(=C3)Br

InChI

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