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

Systemtic Name: 4-[[(5-bromanyl-2-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(5-bromo-2-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[(5-bromo-2-methoxy-benzyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H25BrN2O3/c1-15-20(13-25-12-18-11-19(24)9-10-21(18)29-3)22(23(27)28)16(2)26(15)14-17-7-5-4-6-8-17/h4-11,25H,12-14H2,1-3H3,(H,27,28)