methyl (3S)-2-[2-(3-ethanoylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[2-(3-ethanoylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[2-(3-acetylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[2-(3-acetylphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[2-(3-acetylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-(3-acetylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC

InChI

InChI=1S/C21H21NO5/c1-14(23)15-8-5-9-18(10-15)27-13-20(24)22-12-17-7-4-3-6-16(17)11-19(22)21(25)26-2/h3-10,19H,11-13H2,1-2H3/t19-/m0/s1