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

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-benzyloxyphenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3-phenylmethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-benzoxyphenyl)-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CCl

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)CCl

InChI

InChI=1S/C23H21ClN2O4/c1-2-28-23(27)21-19(12-24)30-22(26)18(13-25)20(21)16-9-6-10-17(11-16)29-14-15-7-4-3-5-8-15/h3-11,20H,2,12,14,26H2,1H3