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

Systemtic Name: methyl (3R)-2-[2-(2-aminocarbonyl-4-chloranyl-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-carbamoyl-4-chloro-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(2-carbamoyl-4-chlorophenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-carbamoyl-4-chlorophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-carbamoyl-4-chloro-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-27-20(26)16-8-12-4-2-3-5-13(12)10-23(16)18(24)11-28-17-7-6-14(21)9-15(17)19(22)25/h2-7,9,16H,8,10-11H2,1H3,(H2,22,25)/t16-/m1/s1