[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H19N3O5/c1-11(21)16(8-20)18(23)10-26-19(24)14-4-6-15(7-5-14)25-9-17-12(2)22-27-13(17)3/h4-7,16,21H,9-10H2,1-3H3/t16-/m1/s1