methyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-piperonyloyl-isonipecotic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO5/c1-25-20(24)21(16-5-3-2-4-6-16)9-11-22(12-10-21)19(23)15-7-8-17-18(13-15)27-14-26-17/h2-8,13H,9-12,14H2,1H3