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

Systemtic Name: methyl (3R)-2-[2-(4-cyanophenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-cyanophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(4-cyanophenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-cyanophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-cyanophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O4/c1-25-20(24)18-10-15-4-2-3-5-16(15)12-22(18)19(23)13-26-17-8-6-14(11-21)7-9-17/h2-9,18H,10,12-13H2,1H3/t18-/m1/s1