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

Systemtic Name: ethyl 1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-2-22-18(21)14-7-9-19(10-8-14)17(20)6-4-13-3-5-15-16(11-13)24-12-23-15/h3-6,11,14H,2,7-10,12H2,1H3/b6-4+