methyl 4-bromanyl-5,6-dimethoxy-1-(phenylmethyl)indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-5,6-dimethoxy-1-(phenylmethyl)indole-2-carboxylate Openeye Name: methyl 1-benzyl-4-bromo-5,6-dimethoxy-indole-2-carboxylate CAS Name: 4-bromo-5,6-dimethoxy-1-(phenylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-bromo-5,6-dimethoxyindole-2-carboxylate Traditional Name: 1-benzyl-4-bromo-5,6-dimethoxy-indole-2-carboxylic acid methyl ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=C(N(C2=C1)CC3=CC=CC=C3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=C2C=C(N(C2=C1)CC3=CC=CC=C3)C(=O)OC)Br)OC

InChI

InChI=1S/C19H18BrNO4/c1-23-16-10-14-13(17(20)18(16)24-2)9-15(19(22)25-3)21(14)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3