2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-methoxypropyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-methoxypropyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-methoxypropyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-ethyl-1-oxohexyl)amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-methoxypropyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-ethylhexanoylamino)-N-(3-methoxypropyl)benzamide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCCOC

InChI

InChI=1S/C28H39N3O3/c1-4-6-10-21(5-2)27(32)30-24-13-14-26(25(19-24)28(33)29-16-9-18-34-3)31-17-15-22-11-7-8-12-23(22)20-31/h7-8,11-14,19,21H,4-6,9-10,15-18,20H2,1-3H3,(H,29,33)(H,30,32)