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

Systemtic Name: methyl (3R)-2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-chloro-2-methyl-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-chloro-2-methylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-chloro-2-methyl-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C20H20ClNO4/c1-13-9-16(21)7-8-18(13)26-12-19(23)22-11-15-6-4-3-5-14(15)10-17(22)20(24)25-2/h3-9,17H,10-12H2,1-2H3/t17-/m1/s1