3-[[1-(dimethylamino)-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]nonadecanoic acid

Systemtic Name: 3-[[1-(dimethylamino)-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]nonadecanoic acid Openeye Name: 3-[[1-(dimethylcarbamoyl)-2,2-dimethyl-propyl]carbamoyl]nonadecanoic acid CAS Name: 3-[[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxomethyl]nonadecanoic acid IUPAC Name: 3-[[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]nonadecanoic acid Traditional Name: 3-[[1-(dimethylcarbamoyl)-2,2-dimethyl-propyl]carbamoyl]nonadecanoic acid Formula: C28H54N2O4 MolecularWeight: 482.73936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C28H54N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24(31)32)26(33)29-25(28(2,3)4)27(34)30(5)6/h23,25H,7-22H2,1-6H3,(H,29,33)(H,31,32)