2-[4-[bis(2-phenylethanoyl)amino]imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-[bis(2-phenylethanoyl)amino]imidazol-1-yl]octanoic acid Openeye Name: 2-[4-[bis(2-phenylacetyl)amino]imidazol-1-yl]octanoic acid CAS Name: 2-[4-[bis(1-oxo-2-phenylethyl)amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-[bis(2-phenylacetyl)amino]imidazol-1-yl]octanoic acid Traditional Name: 2-[4-[bis(2-phenylacetyl)amino]imidazol-1-yl]caprylic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4/c1-2-3-4-11-16-23(27(33)34)29-19-24(28-20-29)30(25(31)17-21-12-7-5-8-13-21)26(32)18-22-14-9-6-10-15-22/h5-10,12-15,19-20,23H,2-4,11,16-18H2,1H3,(H,33,34)