1-[4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-[4-(4-phenoxy-2-propylphenoxy)butoxy]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[4-(4-phenoxy-2-propylphenoxy)butoxy]phenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[4-(4-phenoxy-2-propyl-phenoxy)butoxy]phenyl]sulfonylproline Formula: C30H35NO7S MolecularWeight: 553.6664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C30H35NO7S/c1-2-9-23-22-26(38-25-10-4-3-5-11-25)15-18-29(23)37-21-7-6-20-36-24-13-16-27(17-14-24)39(34,35)31-19-8-12-28(31)30(32)33/h3-5,10-11,13-18,22,28H,2,6-9,12,19-21H2,1H3,(H,32,33)