6-(1-tert-butylcyclohexyl)-3-[[oxidanyl(pyridin-4-yl)methyl]carbamoyl]hexanoic acid

Systemtic Name: 6-(1-tert-butylcyclohexyl)-3-[[oxidanyl(pyridin-4-yl)methyl]carbamoyl]hexanoic acid Openeye Name: 6-(1-tert-butylcyclohexyl)-3-[[hydroxy(4-pyridyl)methyl]carbamoyl]hexanoic acid CAS Name: 6-(1-tert-butylcyclohexyl)-3-[[[hydroxy(pyridin-4-yl)methyl]amino]-oxomethyl]hexanoic acid IUPAC Name: 6-(1-tert-butylcyclohexyl)-3-[[hydroxy(pyridin-4-yl)methyl]carbamoyl]hexanoic acid Traditional Name: 6-(1-tert-butylcyclohexyl)-3-[[hydroxy(4-pyridyl)methyl]carbamoyl]hexanoic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CCCCC1)CCCC(CC(=O)O)C(=O)NC(C2=CC=NC=C2)O

Isomeric SMILES

CC(C)(C)C1(CCCCC1)CCCC(CC(=O)O)C(=O)NC(C2=CC=NC=C2)O

InChI

InChI=1S/C23H36N2O4/c1-22(2,3)23(11-5-4-6-12-23)13-7-8-18(16-19(26)27)21(29)25-20(28)17-9-14-24-15-10-17/h9-10,14-15,18,20,28H,4-8,11-13,16H2,1-3H3,(H,25,29)(H,26,27)