[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] 2-ethylhexanoate

Systemtic Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] 2-ethylhexanoate Openeye Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [1-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] ester Formula: C28H35F3N2O2S MolecularWeight: 520.64991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCC(CC)C(=O)OC1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C28H35F3N2O2S/c1-3-5-9-20(4-2)27(34)35-22-14-17-32(19-22)15-8-16-33-23-10-6-7-11-25(23)36-26-13-12-21(18-24(26)33)28(29,30)31/h6-7,10-13,18,20,22H,3-5,8-9,14-17,19H2,1-2H3