2-[4-(2,2-diphenylbutanoylamino)imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-(2,2-diphenylbutanoylamino)imidazol-1-yl]octanoic acid Openeye Name: 2-[4-(2,2-diphenylbutanoylamino)imidazol-1-yl]octanoic acid CAS Name: 2-[4-[(1-oxo-2,2-diphenylbutyl)amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-(2,2-diphenylbutanoylamino)imidazol-1-yl]octanoic acid Traditional Name: 2-[4-(2,2-diphenylbutanoylamino)imidazol-1-yl]caprylic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C(CC)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C(CC)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O3/c1-3-5-6-13-18-23(25(31)32)30-19-24(28-20-30)29-26(33)27(4-2,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,19-20,23H,3-6,13,18H2,1-2H3,(H,29,33)(H,31,32)