methyl 4-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O5/c1-28-20-13-16(22(27)29-2)7-8-19(20)30-15-21(26)25-11-9-24(10-12-25)14-17-5-3-4-6-18(17)23/h3-8,13H,9-12,14-15H2,1-2H3