ethyl 5-bromanyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3,4,5-trimethoxybenzyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H22BrNO5/c1-5-28-21(24)19-15(14-11-13(22)6-7-16(14)23-19)8-12-9-17(25-2)20(27-4)18(10-12)26-3/h6-7,9-11,23H,5,8H2,1-4H3