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

Systemtic Name: methyl (3R)-2-[2-(2-chloranyl-4-cyano-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-chloro-4-cyano-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-chloro-4-cyanophenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-chloro-4-cyanophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-chloro-4-cyano-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/c1-26-20(25)17-9-14-4-2-3-5-15(14)11-23(17)19(24)12-27-18-7-6-13(10-22)8-16(18)21/h2-8,17H,9,11-12H2,1H3/t17-/m1/s1