8-oxidanylidene-8-phenylazanyl-7-(pyridin-3-ylcarbonylamino)octanoic acid

Systemtic Name: 8-oxidanylidene-8-phenylazanyl-7-(pyridin-3-ylcarbonylamino)octanoic acid Openeye Name: 8-anilino-8-oxo-7-(pyridine-3-carbonylamino)octanoic acid CAS Name: 8-anilino-8-oxo-7-[[oxo(3-pyridinyl)methyl]amino]octanoic acid IUPAC Name: 8-anilino-8-oxo-7-(pyridine-3-carbonylamino)octanoic acid Traditional Name: 8-anilino-8-keto-7-nicotinamido-caprylic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CCCCCC(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(CCCCCC(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H23N3O4/c24-18(25)12-6-2-5-11-17(20(27)22-16-9-3-1-4-10-16)23-19(26)15-8-7-13-21-14-15/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2,(H,22,27)(H,23,26)(H,24,25)