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

Systemtic Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H20N2O5/c1-2-22-17(21)19-9-7-18(8-10-19)16(20)6-4-13-3-5-14-15(11-13)24-12-23-14/h3-6,11H,2,7-10,12H2,1H3/b6-4+