[7-acetyloxy-2-(3-oxidanyl-3-phenyl-propyl)-3,4-dihydro-1H-isoquinolin-6-yl] ethanoate

Systemtic Name: [7-acetyloxy-2-(3-oxidanyl-3-phenyl-propyl)-3,4-dihydro-1H-isoquinolin-6-yl] ethanoate Openeye Name: [7-acetoxy-2-(3-hydroxy-3-phenyl-propyl)-3,4-dihydro-1H-isoquinolin-6-yl] acetate CAS Name: acetic acid [7-acetyloxy-2-(3-hydroxy-3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] ester IUPAC Name: [7-acetyloxy-2-(3-hydroxy-3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl] acetate Traditional Name: acetic acid [7-acetoxy-2-(3-hydroxy-3-phenyl-propyl)-3,4-dihydro-1H-isoquinolin-6-yl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2CN(CCC2=C1)CCC(C3=CC=CC=C3)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2CN(CCC2=C1)CCC(C3=CC=CC=C3)O)OC(=O)C

InChI

InChI=1S/C22H25NO5/c1-15(24)27-21-12-18-8-10-23(14-19(18)13-22(21)28-16(2)25)11-9-20(26)17-6-4-3-5-7-17/h3-7,12-13,20,26H,8-11,14H2,1-2H3