methyl 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC=CC=C3C2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](CN2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C20H23NO4/c1-24-20(23)16-6-8-19(9-7-16)25-14-18(22)13-21-11-10-15-4-2-3-5-17(15)12-21/h2-9,18,22H,10-14H2,1H3/t18-/m1/s1