ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-(p-tolylmethoxy)phenyl]-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-[3-ethoxy-4-(4-methylbenzyl)oxy-phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H27ClN2O5 MolecularWeight: 482.95598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)CCl)N)C#N)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)CCl)N)C#N)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C26H27ClN2O5/c1-4-31-21-12-18(10-11-20(21)33-15-17-8-6-16(3)7-9-17)23-19(14-28)25(29)34-22(13-27)24(23)26(30)32-5-2/h6-12,23H,4-5,13,15,29H2,1-3H3