3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methylamino]propanamide

Systemtic Name: 3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methylamino]propanamide Openeye Name: 3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]methylamino]propanamide CAS Name: 3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methylamino]propanamide IUPAC Name: 3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methylamino]propanamide Traditional Name: 3-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzyl]amino]propionamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC3=CC=CC(=C3)CNCCC(=O)N)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(COC3=CC=CC(=C3)CNCCC(=O)N)O

InChI

InChI=1S/C22H29N3O3/c23-22(27)8-10-24-13-17-4-3-7-21(12-17)28-16-20(26)15-25-11-9-18-5-1-2-6-19(18)14-25/h1-7,12,20,24,26H,8-11,13-16H2,(H2,23,27)