methyl 3-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-2-oxidanylidene-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 3-[1-(1,3-benzodioxol-5-ylcarbonyl)piperidin-4-yl]-2-oxidanylidene-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 3-[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]-2-oxo-1,3-benzoxazole-5-carboxylate CAS Name: 3-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-piperidinyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-benzoxazole-5-carboxylate Traditional Name: 2-keto-3-(1-piperonyloyl-4-piperidyl)-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=O)N2C3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=O)N2C3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N2O7/c1-28-21(26)14-3-4-17-16(10-14)24(22(27)31-17)15-6-8-23(9-7-15)20(25)13-2-5-18-19(11-13)30-12-29-18/h2-5,10-11,15H,6-9,12H2,1H3