2-[4-[[2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbonylamino]imidazol-1-yl]ethanoic acid; hexane

Systemtic Name: 2-[4-[[2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbonylamino]imidazol-1-yl]ethanoic acid; hexane Openeye Name: 2-[4-[[2-(2-ethoxy-2-oxo-ethyl)benzoyl]amino]imidazol-1-yl]acetic acid; hexane CAS Name: 2-[4-[[[2-(2-ethoxy-2-oxoethyl)phenyl]-oxomethyl]amino]-1-imidazolyl]acetic acid; hexane IUPAC Name: 2-[4-[[2-(2-ethoxy-2-oxoethyl)benzoyl]amino]imidazol-1-yl]acetic acid; hexane Traditional Name: 2-[4-[[2-(2-ethoxy-2-keto-ethyl)benzoyl]amino]imidazol-1-yl]acetic acid; n-hexane Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCOC(=O)CC1=CC=CC=C1C(=O)NC2=CN(C=N2)CC(=O)O

Isomeric SMILES

CCCCCC.CCOC(=O)CC1=CC=CC=C1C(=O)NC2=CN(C=N2)CC(=O)O

InChI

InChI=1S/C16H17N3O5.C6H14/c1-2-24-15(22)7-11-5-3-4-6-12(11)16(23)18-13-8-19(10-17-13)9-14(20)21;1-3-5-6-4-2/h3-6,8,10H,2,7,9H2,1H3,(H,18,23)(H,20,21);3-6H2,1-2H3