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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-ethoxypropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-ethoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,3-dimethyl-1-oxobutyl)amino]-N-(3-ethoxypropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-ethoxypropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3,3-dimethylbutanoylamino)-N-(3-ethoxypropyl)benzamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-5-33-16-8-14-28-26(32)23-17-22(29-25(31)18-27(2,3)4)11-12-24(23)30-15-13-20-9-6-7-10-21(20)19-30/h6-7,9-12,17H,5,8,13-16,18-19H2,1-4H3,(H,28,32)(H,29,31)