methyl 4-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]oxymethyl]benzoate CAS Name: 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]oxymethyl]benzoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21NO5/c1-15(24)23-12-11-17-5-3-4-6-19(17)20(23)13-21(25)28-14-16-7-9-18(10-8-16)22(26)27-2/h3-12,20H,13-14H2,1-2H3/t20-/m0/s1