8-[4-[[6-(4-chlorophenyl)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[[6-(4-chlorophenyl)-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[6-(4-chlorophenyl)-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[6-(4-chlorophenyl)-2-hydroxy-4-oxo-1H-quinolin-3-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[6-(4-chlorophenyl)-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[6-(4-chlorophenyl)-2-hydroxy-4-keto-1H-quinoline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C30H29ClN2O6 MolecularWeight: 549.01406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C=C2)NC(=C(C3=O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)NC(=C(C3=O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O)O)Cl

InChI

InChI=1S/C30H29ClN2O6/c31-21-10-7-19(8-11-21)20-9-16-25-24(18-20)28(36)27(30(38)33-25)29(37)32-22-12-14-23(15-13-22)39-17-5-3-1-2-4-6-26(34)35/h7-16,18H,1-6,17H2,(H,32,37)(H,34,35)(H2,33,36,38)