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

Systemtic Name: 4-[2-[2-[4-(1-ethylcyclobutyl)-4-oxidanyl-butyl]-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[4-(1-ethylcyclobutyl)-4-hydroxy-butyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[4-(1-ethylcyclobutyl)-4-hydroxy-butyl]-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC1)C(CCCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CCC1(CCC1)C(CCCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H32N2O4/c1-2-22(12-4-13-22)19(25)5-3-14-23-15-11-20(26)24(23)16-10-17-6-8-18(9-7-17)21(27)28/h6-9,19,25H,2-5,10-16H2,1H3,(H,27,28)