[(1S)-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl] N-(4-fluorophenyl)carbamate

Systemtic Name: [(1S)-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl] N-(4-fluorophenyl)carbamate Openeye Name: [(1S)-1-phenyl-4-pyrrolidin-1-yl-but-2-ynyl] N-(4-fluorophenyl)carbamate CAS Name: N-(4-fluorophenyl)carbamic acid [(1S)-1-phenyl-4-(1-pyrrolidinyl)but-2-ynyl] ester IUPAC Name: [(1S)-1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl] N-(4-fluorophenyl)carbamate Traditional Name: N-(4-fluorophenyl)carbamic acid [(1S)-1-phenyl-4-pyrrolidino-but-2-ynyl] ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC(C2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)CC#C[C@H](C2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2/c22-18-10-12-19(13-11-18)23-21(25)26-20(17-7-2-1-3-8-17)9-6-16-24-14-4-5-15-24/h1-3,7-8,10-13,20H,4-5,14-16H2,(H,23,25)/t20-/m1/s1