7-[(5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[(5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(2-phenylethynyl)phenyl]but-1-enyl]-5-keto-pyrrolidino]enanthic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC(=C2)C#CC3=CC=CC=C3)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1/C=C/[C@H](CC2=CC=CC(=C2)C#CC3=CC=CC=C3)O)CCCCCCC(=O)O

InChI

InChI=1S/C29H33NO4/c31-27(22-25-12-8-11-24(21-25)15-14-23-9-4-3-5-10-23)18-16-26-17-19-28(32)30(26)20-7-2-1-6-13-29(33)34/h3-5,8-12,16,18,21,26-27,31H,1-2,6-7,13,17,19-20,22H2,(H,33,34)/b18-16+/t26-,27+/m0/s1