4-[2-[5-oxidanylidene-2-[(3S)-3-oxidanyl-4-phenyl-butyl]pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-oxidanylidene-2-[(3S)-3-oxidanyl-4-phenyl-butyl]pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(3S)-3-hydroxy-4-phenyl-butyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(3S)-3-hydroxy-4-phenylbutyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(3S)-3-hydroxy-4-phenylbutyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(3S)-3-hydroxy-4-phenyl-butyl]-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1=O)CCC2=CC=C(C=C2)C(=O)O)CCC(CC3=CC=CC=C3)O

Isomeric SMILES

C1CN(N(C1=O)CCC2=CC=C(C=C2)C(=O)O)CC[C@H](CC3=CC=CC=C3)O

InChI

InChI=1S/C22H26N2O4/c25-20(16-18-4-2-1-3-5-18)11-13-23-14-12-21(26)24(23)15-10-17-6-8-19(9-7-17)22(27)28/h1-9,20,25H,10-16H2,(H,27,28)/t20-/m1/s1