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

Systemtic Name: methyl 3-[(2-bromanyl-4-methoxy-phenyl)methyl]-1-(phenylmethyl)indole-2-carboxylate Openeye Name: methyl 1-benzyl-3-[(2-bromo-4-methoxy-phenyl)methyl]indole-2-carboxylate CAS Name: 3-[(2-bromo-4-methoxyphenyl)methyl]-1-(phenylmethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[(2-bromo-4-methoxyphenyl)methyl]indole-2-carboxylate Traditional Name: 1-benzyl-3-(2-bromo-4-methoxy-benzyl)indole-2-carboxylic acid methyl ester Formula: C25H22BrNO3 MolecularWeight: 464.35108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OC)Br

InChI

InChI=1S/C25H22BrNO3/c1-29-19-13-12-18(22(26)15-19)14-21-20-10-6-7-11-23(20)27(24(21)25(28)30-2)16-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3