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

Systemtic Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxodecylamino)-N-(2-oxolanylmethyl)benzamide IUPAC Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 5-(caprylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C31H43N3O3 MolecularWeight: 505.69142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N3O3/c1-2-3-4-5-6-7-8-15-30(35)33-26-16-17-29(34-19-18-24-12-9-10-13-25(24)23-34)28(21-26)31(36)32-22-27-14-11-20-37-27/h9-10,12-13,16-17,21,27H,2-8,11,14-15,18-20,22-23H2,1H3,(H,32,36)(H,33,35)