[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-phenoxybutanoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-phenoxybutanoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CCCOC1=CC=CC=C1)N

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)CCCOC1=CC=CC=C1)N

InChI

InChI=1S/C16H18N2O4/c1-12(18)14(10-17)15(19)11-22-16(20)8-5-9-21-13-6-3-2-4-7-13/h2-4,6-7,14H,1,5,8-9,11,18H2/t14-/m0/s1