7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxybutyl]-5-oxo-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxy-butyl]-5-keto-pyrrolidino]enanthic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C#N)O)CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c23-16-18-7-5-6-17(14-18)15-20(25)11-9-19-10-12-21(26)24(19)13-4-2-1-3-8-22(27)28/h5-7,14,19-20,25H,1-4,8-13,15H2,(H,27,28)/t19-,20+/m0/s1