2-[8-azanyl-2-oxidanyl-5,8-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methyl-benzamide

Systemtic Name: 2-[8-azanyl-2-oxidanyl-5,8-bis(oxidanylidene)-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methyl-benzamide Openeye Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(3-pyridylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methyl-benzamide CAS Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(3-pyridinylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methylbenzamide IUPAC Name: 2-[8-amino-2-hydroxy-5,8-dioxo-3-(pyridin-3-ylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methylbenzamide Traditional Name: 2-[8-amino-2-hydroxy-5,8-diketo-3-(3-pyridylmethyl)-6-(4H-quinolin-1-yl)octyl]-N-tert-butyl-6-methyl-benzamide Formula: C35H42N4O4 MolecularWeight: 582.73238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(C(CC2=CN=CC=C2)CC(=O)C(CC(=O)N)N3C=CCC4=CC=CC=C43)O)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)CC(C(CC2=CN=CC=C2)CC(=O)C(CC(=O)N)N3C=CCC4=CC=CC=C43)O)C(=O)NC(C)(C)C

InChI

InChI=1S/C35H42N4O4/c1-23-10-7-13-26(33(23)34(43)38-35(2,3)4)19-30(40)27(18-24-11-8-16-37-22-24)20-31(41)29(21-32(36)42)39-17-9-14-25-12-5-6-15-28(25)39/h5-13,15-17,22,27,29-30,40H,14,18-21H2,1-4H3,(H2,36,42)(H,38,43)