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

Systemtic Name: methyl (3R)-2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(4-chloro-3-methyl-phenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(4-chloro-3-methylphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(4-chloro-3-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)OCC(=O)N2CC3=CC=CC=C3CC2C(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4/c1-13-9-16(7-8-17(13)21)26-12-19(23)22-11-15-6-4-3-5-14(15)10-18(22)20(24)25-2/h3-9,18H,10-12H2,1-2H3/t18-/m1/s1