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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(octanoylamino)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(octanoylamino)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(1-oxooctylamino)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-benzamide Formula: C28H39N3O2 MolecularWeight: 449.62816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-4-5-6-7-8-13-27(32)30-24-14-15-26(25(18-24)28(33)29-19-21(2)3)31-17-16-22-11-9-10-12-23(22)20-31/h9-12,14-15,18,21H,4-8,13,16-17,19-20H2,1-3H3,(H,29,33)(H,30,32)