12-[[4-azanyl-2-methyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[4-azanyl-2-methyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[4-amino-2-(4-hydroxy-4-oxo-butoxy)-6-methyl-anilino]-12-oxo-dodecanoic acid CAS Name: 12-[4-amino-2-(4-hydroxy-4-oxobutoxy)-6-methylanilino]-12-oxododecanoic acid IUPAC Name: 12-[4-amino-2-(4-hydroxy-4-oxobutoxy)-6-methylanilino]-12-oxododecanoic acid Traditional Name: 12-[4-amino-2-(4-hydroxy-4-keto-butoxy)-6-methyl-anilino]-12-keto-lauric acid Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCCCCCCCCCC(=O)O)OCCCC(=O)O)N

InChI

InChI=1S/C23H36N2O6/c1-17-15-18(24)16-19(31-14-10-13-22(29)30)23(17)25-20(26)11-8-6-4-2-3-5-7-9-12-21(27)28/h15-16H,2-14,24H2,1H3,(H,25,26)(H,27,28)(H,29,30)