(4-methylphenyl)methyl 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (4-methylphenyl)methyl 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: p-tolylmethyl 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid (4-methylbenzyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H21NO3/c1-15-7-9-17(10-8-15)14-25-21(24)13-20-19-6-4-3-5-18(19)11-12-22(20)16(2)23/h3-12,20H,13-14H2,1-2H3/t20-/m1/s1