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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)-5-(3,5,5-trimethylhexanoylamino)benzamide Formula: C30H41N3O3 MolecularWeight: 491.66484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4CCCO4)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4CCCO4)CC(C)(C)C

InChI

InChI=1S/C30H41N3O3/c1-21(18-30(2,3)4)16-28(34)32-24-11-12-27(33-14-13-22-8-5-6-9-23(22)20-33)26(17-24)29(35)31-19-25-10-7-15-36-25/h5-6,8-9,11-12,17,21,25H,7,10,13-16,18-20H2,1-4H3,(H,31,35)(H,32,34)