2-[4-[(2-oxidanylnaphthalen-1-yl)carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[(2-oxidanylnaphthalen-1-yl)carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[(2-hydroxynaphthalene-1-carbonyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[(2-hydroxy-1-naphthalenyl)-oxomethyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[(2-hydroxynaphthalene-1-carbonyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-[(2-hydroxy-1-naphthoyl)amino]imidazol-1-yl]caprylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C22H25N3O4/c1-2-3-4-5-10-17(22(28)29)25-13-19(23-14-25)24-21(27)20-16-9-7-6-8-15(16)11-12-18(20)26/h6-9,11-14,17,26H,2-5,10H2,1H3,(H,24,27)(H,28,29)