methyl 5-[[7-oxidanyl-1-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pentanoate

Systemtic Name: methyl 5-[[7-oxidanyl-1-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pentanoate Openeye Name: methyl 5-[(1-benzyl-7-hydroxy-3,4-dihydroisoquinolin-6-yl)oxy]pentanoate CAS Name: 5-[[7-hydroxy-1-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[(1-benzyl-7-hydroxy-3,4-dihydroisoquinolin-6-yl)oxy]pentanoate Traditional Name: 5-[(1-benzyl-7-hydroxy-3,4-dihydroisoquinolin-6-yl)oxy]valeric acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCCCOC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO4/c1-26-22(25)9-5-6-12-27-21-14-17-10-11-23-19(18(17)15-20(21)24)13-16-7-3-2-4-8-16/h2-4,7-8,14-15,24H,5-6,9-13H2,1H3