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

Systemtic Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(4-ethoxy-3-methoxy-benzyl)amino]methyl]-1-m-anisyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C)OC

InChI

InChI=1S/C26H32N2O5/c1-6-33-23-11-10-19(13-24(23)32-5)14-27-15-22-17(2)28(18(3)25(22)26(29)30)16-20-8-7-9-21(12-20)31-4/h7-13,27H,6,14-16H2,1-5H3,(H,29,30)