ethyl 6-azanyl-4-[4-[(4-bromophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[4-[(4-bromophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-[(4-bromophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[4-[(4-bromophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-[(4-bromophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-(4-bromobenzyl)oxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O4/c1-3-28-23(27)20-14(2)30-22(26)19(12-25)21(20)16-6-10-18(11-7-16)29-13-15-4-8-17(24)9-5-15/h4-11,21H,3,13,26H2,1-2H3