methyl (3S)-2-[2-(3,4,5-trimethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[2-(3,4,5-trimethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-26-18-9-14(10-19(27-2)21(18)28-3)11-20(24)23-13-16-8-6-5-7-15(16)12-17(23)22(25)29-4/h5-10,17H,11-13H2,1-4H3/t17-/m0/s1