4-[4-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(4-fluoro-N-isopropyl-anilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(4-fluoro-N-isopropyl-anilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C22H26FN3O3 MolecularWeight: 399.458543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)F)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)F)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26FN3O3/c1-16(2)26(20-9-5-18(23)6-10-20)21(27)15-24-11-13-25(14-12-24)19-7-3-17(4-8-19)22(28)29/h3-10,16H,11-15H2,1-2H3,(H,28,29)