(phenylmethyl) 3-(3-acetyloxy-2-oxidanylidene-propyl)-5-bromanyl-indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-acetyloxy-2-oxidanylidene-propyl)-5-bromanyl-indole-1-carboxylate Openeye Name: benzyl 3-(3-acetoxy-2-oxo-propyl)-5-bromo-indole-1-carboxylate CAS Name: 3-(3-acetyloxy-2-oxopropyl)-5-bromo-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetyloxy-2-oxopropyl)-5-bromoindole-1-carboxylate Traditional Name: 3-(3-acetoxy-2-keto-propyl)-5-bromo-indole-1-carboxylic acid benzyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)CC1=CN(C2=C1C=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC(=O)CC1=CN(C2=C1C=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5/c1-14(24)27-13-18(25)9-16-11-23(20-8-7-17(22)10-19(16)20)21(26)28-12-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3