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

Systemtic Name: N-butyl-11-[[(3S)-2-(3-hydroxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Openeye Name: N-butyl-11-[[(3S)-2-(3-hydroxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide CAS Name: N-butyl-11-[[(3S)-2-[(3-hydroxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide IUPAC Name: N-butyl-11-[[(3S)-2-(3-hydroxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Traditional Name: N-butyl-11-[[(3S)-2-(3-hydroxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]undecanamide Formula: C32H46N2O4 MolecularWeight: 522.71864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCCCCOCC1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCNC(=O)CCCCCCCCCCOC[C@@H]1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C32H46N2O4/c1-2-3-20-33-31(36)19-10-8-6-4-5-7-9-13-21-38-25-29-22-26-15-11-12-16-28(26)24-34(29)32(37)27-17-14-18-30(35)23-27/h11-12,14-18,23,29,35H,2-10,13,19-22,24-25H2,1H3,(H,33,36)/t29-/m0/s1