13-[[5-(dimethylamino)-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[5-(dimethylamino)-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxo-butoxy)anilino]-13-oxo-tridecanoic acid CAS Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxobutoxy)anilino]-13-oxotridecanoic acid IUPAC Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-oxobutoxy)anilino]-13-oxotridecanoic acid Traditional Name: 13-[5-(dimethylamino)-2-(4-hydroxy-4-keto-butoxy)anilino]-13-keto-tridecanoic acid Formula: C25H40N2O6 MolecularWeight: 464.5949

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C25H40N2O6/c1-27(2)20-16-17-22(33-18-12-15-25(31)32)21(19-20)26-23(28)13-10-8-6-4-3-5-7-9-11-14-24(29)30/h16-17,19H,3-15,18H2,1-2H3,(H,26,28)(H,29,30)(H,31,32)