N-[8-[2-(tert-butylcarbamoyl)phenyl]-2-methyl-7-oxidanyl-4-oxidanylidene-6-(pyridin-3-ylmethyl)octan-3-yl]quinoline-2-carboxamide

Systemtic Name: N-[8-[2-(tert-butylcarbamoyl)phenyl]-2-methyl-7-oxidanyl-4-oxidanylidene-6-(pyridin-3-ylmethyl)octan-3-yl]quinoline-2-carboxamide Openeye Name: N-[6-[2-(tert-butylcarbamoyl)phenyl]-5-hydroxy-1-isopropyl-2-oxo-4-(3-pyridylmethyl)hexyl]quinoline-2-carboxamide CAS Name: N-[8-[2-[(tert-butylamino)-oxomethyl]phenyl]-7-hydroxy-2-methyl-4-oxo-6-(3-pyridinylmethyl)octan-3-yl]-2-quinolinecarboxamide IUPAC Name: N-[8-[2-(tert-butylcarbamoyl)phenyl]-7-hydroxy-2-methyl-4-oxo-6-(pyridin-3-ylmethyl)octan-3-yl]quinoline-2-carboxamide Traditional Name: N-[6-[2-(tert-butylcarbamoyl)phenyl]-5-hydroxy-1-isopropyl-2-keto-4-(3-pyridylmethyl)hexyl]quinaldamide Formula: C36H42N4O4 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC(CC1=CN=CC=C1)C(CC2=CC=CC=C2C(=O)NC(C)(C)C)O)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C(C(=O)CC(CC1=CN=CC=C1)C(CC2=CC=CC=C2C(=O)NC(C)(C)C)O)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C36H42N4O4/c1-23(2)33(39-35(44)30-17-16-25-12-7-9-15-29(25)38-30)32(42)21-27(19-24-11-10-18-37-22-24)31(41)20-26-13-6-8-14-28(26)34(43)40-36(3,4)5/h6-18,22-23,27,31,33,41H,19-21H2,1-5H3,(H,39,44)(H,40,43)