(2-prop-2-enoxyphenyl)methyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (2-prop-2-enoxyphenyl)methyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: (2-allyloxyphenyl)methyl 4-[4-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[4-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid (2-prop-2-enoxyphenyl)methyl ester IUPAC Name: (2-prop-2-enoxyphenyl)methyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid (2-allyloxybenzyl) ester Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F

Isomeric SMILES

C=CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-2-13-29-18-6-4-3-5-16(18)15-30-20(28)27-11-9-26(10-12-27)19-14-17(7-8-25-19)21(22,23)24/h2-8,14H,1,9-13,15H2