[2-[4-[1-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]piperidin-1-yl]carbonylphenyl]methyl benzoate

Systemtic Name: [2-[4-[1-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]piperidin-1-yl]carbonylphenyl]methyl benzoate Openeye Name: [2-[4-[1-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-4-piperidyl]piperidine-1-carbonyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[4-[1-[1-oxo-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-4-piperidinyl]-1-piperidinyl]methyl]phenyl]methyl ester IUPAC Name: [2-[4-[1-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[4-[1-[3-[3-(trifluoromethyl)phenyl]acryloyl]-4-piperidyl]piperidine-1-carbonyl]benzyl] ester Formula: C35H35F3N2O4 MolecularWeight: 604.65861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4)C(=O)C=CC5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)C3=CC=CC=C3COC(=O)C4=CC=CC=C4)C(=O)C=CC5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C35H35F3N2O4/c36-35(37,38)30-11-6-7-25(23-30)13-14-32(41)39-19-15-26(16-20-39)27-17-21-40(22-18-27)33(42)31-12-5-4-10-29(31)24-44-34(43)28-8-2-1-3-9-28/h1-14,23,26-27H,15-22,24H2