ethyl (4S)-2-azanyl-4-(2-fluorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(2-fluorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(2-fluorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate CAS Name: (4S)-2-amino-5-[anilino(oxo)methyl]-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(2-fluorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-fluorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3)C)N

InChI

InChI=1S/C22H21FN2O4/c1-3-28-22(27)19-18(15-11-7-8-12-16(15)23)17(13(2)29-20(19)24)21(26)25-14-9-5-4-6-10-14/h4-12,18H,3,24H2,1-2H3,(H,25,26)/t18-/m0/s1