2-[4-[[3,4-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[[3,4-bis(oxidanyl)phenyl]carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[(3,4-dihydroxybenzoyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[(3,4-dihydroxybenzoyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-(protocatechuoylamino)imidazol-1-yl]caprylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-2-3-4-5-6-13(18(25)26)21-10-16(19-11-21)20-17(24)12-7-8-14(22)15(23)9-12/h7-11,13,22-23H,2-6H2,1H3,(H,20,24)(H,25,26)