4-[[(5-bromanyl-2-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[[(5-bromo-2-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-1-(o-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[[(5-bromo-2-methoxy-benzyl)amino]methyl]-2,5-dimethyl-1-(2-methylbenzyl)pyrrole-3-carboxylic acid Formula: C24H27BrN2O3 MolecularWeight: 471.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCC3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNCC3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C24H27BrN2O3/c1-15-7-5-6-8-18(15)14-27-16(2)21(23(17(27)3)24(28)29)13-26-12-19-11-20(25)9-10-22(19)30-4/h5-11,26H,12-14H2,1-4H3,(H,28,29)