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

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(2-fluorophenyl)piperazino]ethyl ester Formula: C20H23ClFN3O3 MolecularWeight: 407.866323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=CC=C3F)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=CC=CC=C3F)Cl)N

InChI

InChI=1S/C20H23ClFN3O3/c1-27-19-13-17(23)15(21)12-14(19)20(26)28-11-10-24-6-8-25(9-7-24)18-5-3-2-4-16(18)22/h2-5,12-13H,6-11,23H2,1H3