N-butyl-11-[[2-(3-fluorophenyl)carbonyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide

Systemtic Name: N-butyl-11-[[2-(3-fluorophenyl)carbonyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Openeye Name: N-butyl-11-[[2-(3-fluorobenzoyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide CAS Name: N-butyl-11-[[2-[(3-fluorophenyl)-oxomethyl]-6-hydroxy-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide IUPAC Name: N-butyl-11-[[2-(3-fluorobenzoyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Traditional Name: N-butyl-11-[[2-(3-fluorobenzoyl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Formula: C32H45FN2O4 MolecularWeight: 540.709103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCCCCOCC1CC2=C(CN1C(=O)C3=CC(=CC=C3)F)C=CC(=C2)O

Isomeric SMILES

CCCCNC(=O)CCCCCCCCCCOCC1CC2=C(CN1C(=O)C3=CC(=CC=C3)F)C=CC(=C2)O

InChI

InChI=1S/C32H45FN2O4/c1-2-3-18-34-31(37)15-10-8-6-4-5-7-9-11-19-39-24-29-21-27-22-30(36)17-16-26(27)23-35(29)32(38)25-13-12-14-28(33)20-25/h12-14,16-17,20,22,29,36H,2-11,15,18-19,21,23-24H2,1H3,(H,34,37)