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

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(4-ethoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-p-phenetyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OCC)CCl)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OCC)CCl)N)C#N

InChI

InChI=1S/C18H19ClN2O4/c1-3-23-12-7-5-11(6-8-12)15-13(10-20)17(21)25-14(9-19)16(15)18(22)24-4-2/h5-8,15H,3-4,9,21H2,1-2H3