N-butyl-6-fluoranyl-N-methyl-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethoxy]cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-butyl-6-fluoranyl-N-methyl-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethoxy]cyclohexa-1,3-diene-1-carboxamide Openeye Name: 2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethoxy]-N-butyl-6-fluoro-N-methyl-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-butyl-6-fluoro-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethoxy]-N-methyl-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-butyl-6-fluoro-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethoxy]-N-methylcyclohexa-1,3-diene-1-carboxamide Traditional Name: 2-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethoxy]-N-butyl-6-fluoro-N-methyl-cyclohexa-1,3-diene-1-carboxamide Formula: C23H31FN2O4 MolecularWeight: 418.501643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(C=CCC1F)OCC(=O)NC(CC2=CC=CC=C2)CO

Isomeric SMILES

CCCCN(C)C(=O)C1=C(C=CCC1F)OCC(=O)N[C@@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C23H31FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-10,12,18-19,27H,3-4,11,13-16H2,1-2H3,(H,25,28)/t18-,19?/m0/s1