[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H22N2O4/c1-11(2)14-6-5-12(3)7-17(14)23-10-18(22)24-9-16(21)15(8-19)13(4)20/h5-7,11,15,20H,9-10H2,1-4H3/t15-/m1/s1