methyl 2-acetamido-5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 2-acetamido-5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoate Openeye Name: methyl 2-acetamido-5-[2-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]benzoate CAS Name: 2-acetamido-5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-acetamido-5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzoate Traditional Name: 2-acetamido-5-[2-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C28H25BrN2O4 MolecularWeight: 533.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)NC(=O)C)C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)NC(=O)C)C(=O)OC)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25BrN2O4/c1-18-9-13-26(24-15-21(29)10-14-27(24)35-17-20-7-5-4-6-8-20)31(18)22-11-12-25(30-19(2)32)23(16-22)28(33)34-3/h4-16H,17H2,1-3H3,(H,30,32)