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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethylphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(4-ethylbenzyl)amino]methyl]-2,5-dimethyl-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C26H30N2O2 MolecularWeight: 402.5286

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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=C(C=C3)C=C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-5-20-7-11-22(12-8-20)15-27-16-24-18(3)28(19(4)25(24)26(29)30)17-23-13-9-21(6-2)10-14-23/h6-14,27H,2,5,15-17H2,1,3-4H3,(H,29,30)