[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H24N4O4/c1-13(23)19(11-22)20(26)12-29-21(27)9-8-18-14(2)24-25(15(18)3)16-6-5-7-17(10-16)28-4/h5-7,10,19,23H,8-9,12H2,1-4H3/t19-/m0/s1