methyl 3-[(2-methylpropan-2-yl)oxy]-2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]benzenecarboperoxoate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxy]-2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]benzenecarboperoxoate Openeye Name: methyl 3-tert-butoxy-2-[1-(pyrazin-2-ylmethyl)-4-piperidyl]benzenecarboperoxoate CAS Name: 3-[(2-methylpropan-2-yl)oxy]-2-[1-(2-pyrazinylmethyl)-4-piperidinyl]benzenecarboperoxoic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropan-2-yl)oxy]-2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]benzenecarboperoxoate Traditional Name: 3-tert-butoxy-2-[1-(pyrazin-2-ylmethyl)-4-piperidyl]benzenecarboperoxoic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC(=C1C2CCN(CC2)CC3=NC=CN=C3)C(=O)OOC

Isomeric SMILES

CC(C)(C)OC1=CC=CC(=C1C2CCN(CC2)CC3=NC=CN=C3)C(=O)OOC

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)28-19-7-5-6-18(21(26)29-27-4)20(19)16-8-12-25(13-9-16)15-17-14-23-10-11-24-17/h5-7,10-11,14,16H,8-9,12-13,15H2,1-4H3