[4-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-piperidin-4-yl] benzoate

Systemtic Name: [4-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-piperidin-4-yl] benzoate Openeye Name: [4-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methyl-4-piperidinyl] ester IUPAC Name: [4-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [4-([1,3]dioxol[4,5-g]isoquinolin-5-yl)-1-methyl-4-piperidyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=NC=CC3=CC4=C(C=C32)OCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)(C2=NC=CC3=CC4=C(C=C32)OCO4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N2O4/c1-25-11-8-23(9-12-25,29-22(26)16-5-3-2-4-6-16)21-18-14-20-19(27-15-28-20)13-17(18)7-10-24-21/h2-7,10,13-14H,8-9,11-12,15H2,1H3