2-[4-[(3-azanyl-2-ethoxycarbonyl-phenyl)carbonylamino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[(3-azanyl-2-ethoxycarbonyl-phenyl)carbonylamino]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[(3-amino-2-ethoxycarbonyl-benzoyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[(3-amino-2-ethoxycarbonylphenyl)-oxomethyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[(3-amino-2-ethoxycarbonylbenzoyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-[(3-amino-2-carbethoxy-benzoyl)amino]imidazol-1-yl]caprylic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5/c1-3-5-6-7-11-16(20(27)28)25-12-17(23-13-25)24-19(26)14-9-8-10-15(22)18(14)21(29)30-4-2/h8-10,12-13,16H,3-7,11,22H2,1-2H3,(H,24,26)(H,27,28)