methyl 3-azanyl-4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-azanyl-4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-amino-4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-amino-4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 3-amino-4-[2-[4-(4-fluorobenzyl)-2,5-dimethyl-piperazino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C23H28FN3O4 MolecularWeight: 429.484523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(=O)OC)N)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)C(=O)OC)N)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4/c1-15-12-27(16(2)11-26(15)13-17-4-7-19(24)8-5-17)22(28)14-31-21-9-6-18(10-20(21)25)23(29)30-3/h4-10,15-16H,11-14,25H2,1-3H3