methyl 6-azanyl-5-cyano-2-methyl-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-methyl-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-(3-benzyloxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-methyl-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-benzoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O4/c1-14-19(22(25)26-2)20(18(12-23)21(24)28-14)16-9-6-10-17(11-16)27-13-15-7-4-3-5-8-15/h3-11,20H,13,24H2,1-2H3