2-[4-(9H-xanthen-9-ylcarbonylamino)imidazol-1-yl]octanoic acid

Systemtic Name: 2-[4-(9H-xanthen-9-ylcarbonylamino)imidazol-1-yl]octanoic acid Openeye Name: 2-[4-(9H-xanthene-9-carbonylamino)imidazol-1-yl]octanoic acid CAS Name: 2-[4-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-imidazolyl]octanoic acid IUPAC Name: 2-[4-(9H-xanthene-9-carbonylamino)imidazol-1-yl]octanoic acid Traditional Name: 2-[4-(9H-xanthene-9-carbonylamino)imidazol-1-yl]caprylic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CCCCCCC(C(=O)O)N1C=C(N=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H27N3O4/c1-2-3-4-5-12-19(25(30)31)28-15-22(26-16-28)27-24(29)23-17-10-6-8-13-20(17)32-21-14-9-7-11-18(21)23/h6-11,13-16,19,23H,2-5,12H2,1H3,(H,27,29)(H,30,31)