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

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[[2-(2-thienyl)ethylamino]methyl]-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-4-[(2-thiophen-2-ylethylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[[2-(2-thienyl)ethylamino]methyl]-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCCC3=CC=CS3

InChI

InChI=1S/C23H26N2O2S/c1-4-18-7-9-19(10-8-18)15-25-16(2)21(22(17(25)3)23(26)27)14-24-12-11-20-6-5-13-28-20/h4-10,13,24H,1,11-12,14-15H2,2-3H3,(H,26,27)