4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)-1-(2-octan-4-ylsulfonylethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)-1-(2-octan-4-ylsulfonylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)-1-[2-(1-propylpentylsulfonyl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1-(2-octan-4-ylsulfonylethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1-(2-octan-4-ylsulfonylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)-1-[2-(1-propylpentylsulfonyl)ethyl]pyrrolidine-3-carboxylic acid Formula: C29H38FNO7S MolecularWeight: 563.677923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)S(=O)(=O)CCN1CC(C(C1C2=CC(=C(C=C2)OC)F)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(CCC)S(=O)(=O)CCN1CC(C(C1C2=CC(=C(C=C2)OC)F)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H38FNO7S/c1-4-6-8-21(7-5-2)39(34,35)14-13-31-17-22(19-9-12-25-26(16-19)38-18-37-25)27(29(32)33)28(31)20-10-11-24(36-3)23(30)15-20/h9-12,15-16,21-22,27-28H,4-8,13-14,17-18H2,1-3H3,(H,32,33)