2-(carboxycarbonylamino)-5-(3-octyl-1,2-oxazol-5-yl)benzoic acid

Systemtic Name: 2-(carboxycarbonylamino)-5-(3-octyl-1,2-oxazol-5-yl)benzoic acid Openeye Name: 5-(3-octylisoxazol-5-yl)-2-(oxaloamino)benzoic acid CAS Name: 5-(3-octyl-5-isoxazolyl)-2-(oxaloamino)benzoic acid IUPAC Name: 5-(3-octyl-1,2-oxazol-5-yl)-2-(oxaloamino)benzoic acid Traditional Name: 5-(3-octylisoxazol-5-yl)-2-(oxaloamino)benzoic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NOC(=C1)C2=CC(=C(C=C2)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=NOC(=C1)C2=CC(=C(C=C2)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C20H24N2O6/c1-2-3-4-5-6-7-8-14-12-17(28-22-14)13-9-10-16(15(11-13)19(24)25)21-18(23)20(26)27/h9-12H,2-8H2,1H3,(H,21,23)(H,24,25)(H,26,27)