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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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