methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]isonipecotic acid methyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO5/c1-21-17(20)13-6-8-18(9-7-13)16(19)5-3-12-2-4-14-15(10-12)23-11-22-14/h2-5,10,13H,6-9,11H2,1H3/b5-3+