3-methyl-8-oxidanylidene-8-[[2-(6-oxidanyl-6-oxidanylidene-hexoxy)phenyl]amino]octanoic acid

Systemtic Name: 3-methyl-8-oxidanylidene-8-[[2-(6-oxidanyl-6-oxidanylidene-hexoxy)phenyl]amino]octanoic acid Openeye Name: 8-[2-(6-hydroxy-6-oxo-hexoxy)anilino]-3-methyl-8-oxo-octanoic acid CAS Name: 8-[2-(6-hydroxy-6-oxohexoxy)anilino]-3-methyl-8-oxooctanoic acid IUPAC Name: 8-[2-(6-hydroxy-6-oxohexoxy)anilino]-3-methyl-8-oxooctanoic acid Traditional Name: 8-[2-(6-hydroxy-6-keto-hexoxy)anilino]-8-keto-3-methyl-caprylic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)NC1=CC=CC=C1OCCCCCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CCCCC(=O)NC1=CC=CC=C1OCCCCCC(=O)O)CC(=O)O

InChI

InChI=1S/C21H31NO6/c1-16(15-21(26)27)9-4-7-12-19(23)22-17-10-5-6-11-18(17)28-14-8-2-3-13-20(24)25/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,22,23)(H,24,25)(H,26,27)