8-oxidanylidene-8-[[3-(1-phenyl-1,2,3-triazol-4-yl)phenyl]amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[3-(1-phenyl-1,2,3-triazol-4-yl)phenyl]amino]octanoic acid Openeye Name: 8-oxo-8-[3-(1-phenyltriazol-4-yl)anilino]octanoic acid CAS Name: 8-oxo-8-[3-(1-phenyl-4-triazolyl)anilino]octanoic acid IUPAC Name: 8-oxo-8-[3-(1-phenyltriazol-4-yl)anilino]octanoic acid Traditional Name: 8-keto-8-[3-(1-phenyltriazol-4-yl)anilino]caprylic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(N=N2)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(N=N2)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C22H24N4O3/c27-21(13-6-1-2-7-14-22(28)29)23-18-10-8-9-17(15-18)20-16-26(25-24-20)19-11-4-3-5-12-19/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,23,27)(H,28,29)