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

Systemtic Name: methyl 5-[[1-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pentanoate Openeye Name: methyl 5-[(1-benzyl-3,4-dihydroisoquinolin-6-yl)oxy]pentanoate CAS Name: 5-[[1-(phenylmethyl)-3,4-dihydroisoquinolin-6-yl]oxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[(1-benzyl-3,4-dihydroisoquinolin-6-yl)oxy]pentanoate Traditional Name: 5-[(1-benzyl-3,4-dihydroisoquinolin-6-yl)oxy]valeric acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=CC2=C(C=C1)C(=NCC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCOC1=CC2=C(C=C1)C(=NCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-25-22(24)9-5-6-14-26-19-10-11-20-18(16-19)12-13-23-21(20)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,16H,5-6,9,12-15H2,1H3