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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-4-[[(2-methoxyphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[(o-anisylamino)methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC=CC=C3OC

InChI

InChI=1S/C25H28N2O3/c1-5-19-10-12-20(13-11-19)16-27-17(2)22(24(18(27)3)25(28)29)15-26-14-21-8-6-7-9-23(21)30-4/h5-13,26H,1,14-16H2,2-4H3,(H,28,29)