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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-11(22)15(8-21)17(24)10-28-20(25)14-5-6-18(19(7-14)26-4)27-9-16-12(2)23-29-13(16)3/h5-7,15,22H,9-10H2,1-4H3/t15-/m0/s1