2-[[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]-(2-hydroxyethyl)amino]ethylcarbamic acid

Systemtic Name: 2-[[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]-(2-hydroxyethyl)amino]ethylcarbamic acid Openeye Name: 2-[[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]-(2-hydroxyethyl)amino]ethylcarbamic acid CAS Name: 2-[[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethylcarbamic acid IUPAC Name: 2-[[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]-(2-hydroxyethyl)amino]ethylcarbamic acid Traditional Name: 2-[[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]-(2-hydroxyethyl)amino]ethylcarbamic acid Formula: C22H31ClN4O4 MolecularWeight: 450.95894

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)N(CCNC(=O)O)CCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)N(CCNC(=O)O)CCO

InChI

InChI=1S/C22H31ClN4O4/c23-18-12-25-19(27(3-4-28)2-1-24-21(30)31)8-17(18)20(29)26-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,12,14-16,24,28H,1-7,9-11,13H2,(H,26,29)(H,30,31)