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

Systemtic Name: 7-[(5S)-2-oxidanylidene-5-[(E)-4-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2S)-2-[(E)-4-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2S)-2-[(E)-4-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2S)-2-[(E)-4-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2S)-2-[(E)-4-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]enanthic acid Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CCC(C2=CC=CC=C2)O)CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c23-19(17-9-4-3-5-10-17)12-8-11-18-14-15-20(24)22(18)16-7-2-1-6-13-21(25)26/h3-5,8-11,18-19,23H,1-2,6-7,12-16H2,(H,25,26)/b11-8+/t18-,19?/m1/s1