ethyl 5-acetyloxy-6-bromanyl-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1-benzyl-6-bromo-2-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-benzyl-6-bromo-2-methylindole-3-carboxylate Traditional Name: 5-acetoxy-1-benzyl-6-bromo-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20BrNO4/c1-4-26-21(25)20-13(2)23(12-15-8-6-5-7-9-15)18-11-17(22)19(10-16(18)20)27-14(3)24/h5-11H,4,12H2,1-3H3