methyl 4-[[2-(1-cyclobutylpiperidin-4-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-(1-cyclobutylpiperidin-4-yl)-1-oxidanylidene-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(1-cyclobutyl-4-piperidyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoate CAS Name: 4-[[2-(1-cyclobutyl-4-piperidinyl)-1-oxo-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-cyclobutylpiperidin-4-yl)-1-oxo-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoate Traditional Name: 4-[[2-(1-cyclobutyl-4-piperidyl)-1-keto-3,4-dihydroisoquinolin-6-yl]oxymethyl]benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)N(CC3)C4CCN(CC4)C5CCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)N(CC3)C4CCN(CC4)C5CCC5

InChI

InChI=1S/C27H32N2O4/c1-32-27(31)20-7-5-19(6-8-20)18-33-24-9-10-25-21(17-24)11-16-29(26(25)30)23-12-14-28(15-13-23)22-3-2-4-22/h5-10,17,22-23H,2-4,11-16,18H2,1H3