2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C30H43N3O3 MolecularWeight: 493.68072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CC(C)CC(C)(C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C30H43N3O3/c1-6-36-17-9-15-31-29(35)26-19-25(32-28(34)18-22(2)20-30(3,4)5)12-13-27(26)33-16-14-23-10-7-8-11-24(23)21-33/h7-8,10-13,19,22H,6,9,14-18,20-21H2,1-5H3,(H,31,35)(H,32,34)