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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-oxolanylmethyl)-5-(1-oxooctylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-(caprylylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O3/c1-2-3-4-5-6-13-28(33)31-24-14-15-27(32-17-16-22-10-7-8-11-23(22)21-32)26(19-24)29(34)30-20-25-12-9-18-35-25/h7-8,10-11,14-15,19,25H,2-6,9,12-13,16-18,20-21H2,1H3,(H,30,34)(H,31,33)