4-[1-azanyl-3-(4-fluorophenyl)-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(4-fluorophenyl)-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-(4-fluorophenyl)-2-[2-(1-piperidyl)phenyl]ethyl]benzoic acid CAS Name: 4-[1-amino-3-(4-fluorophenyl)-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(4-fluorophenyl)-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(4-fluorophenyl)-2-(2-piperidinophenyl)ethyl]benzoic acid Formula: C27H27FN2O3 MolecularWeight: 446.513283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)F)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)F)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C27H27FN2O3/c28-21-14-12-18(13-15-21)24(22-6-2-3-7-23(22)30-16-4-1-5-17-30)25(26(29)31)19-8-10-20(11-9-19)27(32)33/h2-3,6-15,24-25H,1,4-5,16-17H2,(H2,29,31)(H,32,33)