[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C21H26N2O5/c1-3-4-5-12-27-17-8-6-16(7-9-17)19(24)10-11-21(26)28-14-20(25)18(13-22)15(2)23/h6-9H,3-5,10-12,14,23H2,1-2H3/b18-15+