4-[3-[2-oxidanylidene-5-[3-oxidanyl-4-(3-phenoxyphenyl)butyl]pyrrolidin-1-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[2-oxidanylidene-5-[3-oxidanyl-4-(3-phenoxyphenyl)butyl]pyrrolidin-1-yl]propyl]benzoic acid Openeye Name: 4-[3-[2-[3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic acid CAS Name: 4-[3-[2-[3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-1-pyrrolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[2-[3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid Traditional Name: 4-[3-[2-[3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-keto-pyrrolidino]propyl]benzoic acid Formula: C30H33NO5 MolecularWeight: 487.58672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H33NO5/c32-26(20-23-6-4-10-28(21-23)36-27-8-2-1-3-9-27)17-15-25-16-18-29(33)31(25)19-5-7-22-11-13-24(14-12-22)30(34)35/h1-4,6,8-14,21,25-26,32H,5,7,15-20H2,(H,34,35)