methyl 3-(2-bromanyl-4-methoxy-phenyl)carbonyl-1-(phenylmethyl)indole-2-carboxylate

Systemtic Name: methyl 3-(2-bromanyl-4-methoxy-phenyl)carbonyl-1-(phenylmethyl)indole-2-carboxylate Openeye Name: methyl 1-benzyl-3-(2-bromo-4-methoxy-benzoyl)indole-2-carboxylate CAS Name: 3-[(2-bromo-4-methoxyphenyl)-oxomethyl]-1-(phenylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(2-bromo-4-methoxybenzoyl)indole-2-carboxylate Traditional Name: 1-benzyl-3-(2-bromo-4-methoxy-benzoyl)indole-2-carboxylic acid methyl ester Formula: C25H20BrNO4 MolecularWeight: 478.3346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OC)Br

InChI

InChI=1S/C25H20BrNO4/c1-30-17-12-13-18(20(26)14-17)24(28)22-19-10-6-7-11-21(19)27(23(22)25(29)31-2)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3