1-[[4-(2-carboxyphenyl)phenyl]methyl]-3-(methoxymethyl)-5-propyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-3-(methoxymethyl)-5-propyl-pyrrole-2-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-3-(methoxymethyl)-5-propyl-pyrrole-2-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-3-(methoxymethyl)-5-propyl-2-pyrrolecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-3-(methoxymethyl)-5-propylpyrrole-2-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-3-(methoxymethyl)-5-propyl-pyrrole-2-carboxylic acid Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)COC

Isomeric SMILES

CCCC1=CC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)COC

InChI

InChI=1S/C24H25NO5/c1-3-6-19-13-18(15-30-2)22(24(28)29)25(19)14-16-9-11-17(12-10-16)20-7-4-5-8-21(20)23(26)27/h4-5,7-13H,3,6,14-15H2,1-2H3,(H,26,27)(H,28,29)