4-[2-[5-oxidanylidene-2-[(E)-4-oxidanylnon-2-enyl]pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-oxidanylidene-2-[(E)-4-oxidanylnon-2-enyl]pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(E)-4-hydroxynon-2-enyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(E)-4-hydroxynon-2-enyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(E)-4-hydroxynon-2-enyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(E)-4-hydroxynon-2-enyl]-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/CN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H30N2O4/c1-2-3-4-6-19(24)7-5-14-22-15-13-20(25)23(22)16-12-17-8-10-18(11-9-17)21(26)27/h5,7-11,19,24H,2-4,6,12-16H2,1H3,(H,26,27)/b7-5+