4-(2-azanyl-3-octyl-4-oxidanylidene-pyrazolidin-1-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3-octyl-4-oxidanylidene-pyrazolidin-1-yl)benzoic acid Openeye Name: 4-(2-amino-3-octyl-4-oxo-pyrazolidin-1-yl)benzoic acid CAS Name: 4-(2-amino-3-octyl-4-oxo-1-pyrazolidinyl)benzoic acid IUPAC Name: 4-(2-amino-3-octyl-4-oxopyrazolidin-1-yl)benzoic acid Traditional Name: 4-(2-amino-4-keto-3-octyl-pyrazolidin-1-yl)benzoic acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(=O)CN(N1N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1C(=O)CN(N1N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H27N3O3/c1-2-3-4-5-6-7-8-16-17(22)13-20(21(16)19)15-11-9-14(10-12-15)18(23)24/h9-12,16H,2-8,13,19H2,1H3,(H,23,24)