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

Systemtic Name: 4-[[(4-ethylphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-ethylphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(4-ethylphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(4-ethylphenyl)methylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(4-ethylbenzyl)amino]methyl]-1-m-anisyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C25H30N2O3/c1-5-19-9-11-20(12-10-19)14-26-15-23-17(2)27(18(3)24(23)25(28)29)16-21-7-6-8-22(13-21)30-4/h6-13,26H,5,14-16H2,1-4H3,(H,28,29)