ethyl (4S)-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-4-(4-isopropylphenyl)-2-methyl-6-pyrrol-1-yl-4H-pyran-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-6-(1-pyrrolyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-4-(4-propan-2-ylphenyl)-6-pyrrol-1-yl-4H-pyran-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-4-p-cumenyl-6-pyrrol-1-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C(C)C)C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)C(C)C)C#N)N3C=CC=C3)C

InChI

InChI=1S/C23H24N2O3/c1-5-27-23(26)20-16(4)28-22(25-12-6-7-13-25)19(14-24)21(20)18-10-8-17(9-11-18)15(2)3/h6-13,15,21H,5H2,1-4H3/t21-/m0/s1