ethyl 1-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(2-ethylbenzofuran-3-yl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-(2-ethyl-3-benzofuranyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(2-ethylbenzofuran-3-yl)acryloyl]nipecotic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C21H25NO4/c1-3-18-17(16-9-5-6-10-19(16)26-18)11-12-20(23)22-13-7-8-15(14-22)21(24)25-4-2/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3/b12-11+