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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-ethoxyphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(2-ethoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-ethoxyphenyl)methylamino]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-ethoxyphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(2-ethoxybenzyl)amino]methyl]-2,5-dimethyl-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

Isomeric SMILES

CCOC1=CC=CC=C1CNCC2=C(N(C(=C2C(=O)O)C)CC3=CC=C(C=C3)C=C)C

InChI

InChI=1S/C26H30N2O3/c1-5-20-11-13-21(14-12-20)17-28-18(3)23(25(19(28)4)26(29)30)16-27-15-22-9-7-8-10-24(22)31-6-2/h5,7-14,27H,1,6,15-17H2,2-4H3,(H,29,30)