[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C22H24ClNO5/c1-4-28-20-18(23)11-17(12-19(20)27-3)22(26)29-14(2)21(25)24-10-9-15-7-5-6-8-16(15)13-24/h5-8,11-12,14H,4,9-10,13H2,1-3H3/t14-/m1/s1