10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl]amino]-10-oxidanylidene-decanoic acid

Systemtic Name: 10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl]amino]-10-oxidanylidene-decanoic acid Openeye Name: 10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-10-oxo-decanoic acid CAS Name: 10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-10-oxodecanoic acid IUPAC Name: 10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-10-oxodecanoic acid Traditional Name: 10-[[4-(3,5-dimethylbenzyl)-5-ethyl-2-keto-6-methyl-1H-pyridin-3-yl]amino]-10-keto-capric acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CCCCCCCCC(=O)O)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CCCCCCCCC(=O)O)C

InChI

InChI=1S/C27H38N2O4/c1-5-22-20(4)28-27(33)26(23(22)17-21-15-18(2)14-19(3)16-21)29-24(30)12-10-8-6-7-9-11-13-25(31)32/h14-16H,5-13,17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)