5-fluoranyl-2-methoxy-4-phenylmethoxycarbonyl-3-piperazin-1-yl-benzoic acid

Systemtic Name: 5-fluoranyl-2-methoxy-4-phenylmethoxycarbonyl-3-piperazin-1-yl-benzoic acid Openeye Name: 4-benzyloxycarbonyl-5-fluoro-2-methoxy-3-piperazin-1-yl-benzoic acid CAS Name: 5-fluoro-2-methoxy-4-phenylmethoxycarbonyl-3-(1-piperazinyl)benzoic acid IUPAC Name: 5-fluoro-2-methoxy-4-phenylmethoxycarbonyl-3-piperazin-1-ylbenzoic acid Traditional Name: 4-carbobenzoxy-5-fluoro-2-methoxy-3-piperazino-benzoic acid Formula: C20H21FN2O5 MolecularWeight: 388.389543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)O)F)C(=O)OCC2=CC=CC=C2)N3CCNCC3

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)O)F)C(=O)OCC2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C20H21FN2O5/c1-27-18-14(19(24)25)11-15(21)16(17(18)23-9-7-22-8-10-23)20(26)28-12-13-5-3-2-4-6-13/h2-6,11,22H,7-10,12H2,1H3,(H,24,25)