methyl 5-bromanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: methyl 1-benzyl-5-bromo-indole-3-carboxylate CAS Name: 5-bromo-1-(phenylmethyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-bromoindole-3-carboxylate Traditional Name: 1-benzyl-5-bromo-indole-3-carboxylic acid methyl ester Formula: C17H14BrNO2 MolecularWeight: 344.20256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C17H14BrNO2/c1-21-17(20)15-11-19(10-12-5-3-2-4-6-12)16-8-7-13(18)9-14(15)16/h2-9,11H,10H2,1H3