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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethoxy-3-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(4-ethoxy-3-methoxy-phenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(4-ethoxy-3-methoxy-benzyl)amino]methyl]-2,5-dimethyl-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-6-20-8-10-21(11-9-20)17-29-18(3)23(26(19(29)4)27(30)31)16-28-15-22-12-13-24(33-7-2)25(14-22)32-5/h6,8-14,28H,1,7,15-17H2,2-5H3,(H,30,31)