ethyl 4-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(E)-3-(4-fluorophenyl)allyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[(E)-3-(4-fluorophenyl)allyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30FN3O2 MolecularWeight: 375.480203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC=CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O2/c1-2-27-21(26)25-15-13-24(14-16-25)20-6-4-12-23(17-20)11-3-5-18-7-9-19(22)10-8-18/h3,5,7-10,20H,2,4,6,11-17H2,1H3/b5-3+