[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O4/c1-11(2)13-6-4-5-7-16(13)22-10-17(21)23-9-15(20)14(8-18)12(3)19/h4-7,11,14,19H,9-10H2,1-3H3/t14-/m1/s1