N-[9-[2-(tert-butylcarbamoyl)phenyl]-8-oxidanyl-5-oxidanylidene-7-(pyridin-3-ylmethyl)nonan-4-yl]quinoline-2-carboxamide

Systemtic Name: N-[9-[2-(tert-butylcarbamoyl)phenyl]-8-oxidanyl-5-oxidanylidene-7-(pyridin-3-ylmethyl)nonan-4-yl]quinoline-2-carboxamide Openeye Name: N-[6-[2-(tert-butylcarbamoyl)phenyl]-5-hydroxy-2-oxo-1-propyl-4-(3-pyridylmethyl)hexyl]quinoline-2-carboxamide CAS Name: N-[9-[2-[(tert-butylamino)-oxomethyl]phenyl]-8-hydroxy-5-oxo-7-(3-pyridinylmethyl)nonan-4-yl]-2-quinolinecarboxamide IUPAC Name: N-[9-[2-(tert-butylcarbamoyl)phenyl]-8-hydroxy-5-oxo-7-(pyridin-3-ylmethyl)nonan-4-yl]quinoline-2-carboxamide Traditional Name: N-[6-[2-(tert-butylcarbamoyl)phenyl]-5-hydroxy-2-keto-1-propyl-4-(3-pyridylmethyl)hexyl]quinaldamide Formula: C36H42N4O4 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

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