[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate

Systemtic Name: [(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C24H24FNO4 MolecularWeight: 409.450063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC=C(C=C2)F)OC(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C24H24FNO4/c25-19-12-10-16(11-13-19)22(23(27)26-20-7-2-1-3-8-20)30-24(28)18-14-17-6-4-5-9-21(17)29-15-18/h4-6,9-14,20,22H,1-3,7-8,15H2,(H,26,27)/t22-/m1/s1