methyl (3R)-2-[2-(4-cyano-2-methoxy-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(4-cyano-2-methoxy-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-cyano-2-methoxy-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(4-cyano-2-methoxyphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-cyano-2-methoxyphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-cyano-2-methoxy-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-26-19-9-14(11-22)7-8-18(19)28-13-20(24)23-12-16-6-4-3-5-15(16)10-17(23)21(25)27-2/h3-9,17H,10,12-13H2,1-2H3/t17-/m1/s1