2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[carboxymethyl(propyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O)C

Isomeric SMILES

CCCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O)C

InChI

InChI=1S/C26H34N2O6S/c1-3-14-28(18-25(29)30)35(33,34)22-11-13-23(19(2)17-22)24(26(31)32)12-8-20-6-9-21(10-7-20)27-15-4-5-16-27/h6-7,9-11,13,17,24H,3-5,8,12,14-16,18H2,1-2H3,(H,29,30)(H,31,32)