2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl ester Formula: C21H23ClF3N3O3 MolecularWeight: 457.87383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)Cl)N

InChI

InChI=1S/C21H23ClF3N3O3/c1-30-19-13-18(26)17(22)12-16(19)20(29)31-10-9-27-5-7-28(8-6-27)15-4-2-3-14(11-15)21(23,24)25/h2-4,11-13H,5-10,26H2,1H3