[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-methylpropoxy)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic 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)COC1=CC=CC(=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O4/c1-11(2)9-22-14-6-4-5-13(7-14)17(21)23-10-16(20)15(8-18)12(3)19/h4-7,11,15,19H,9-10H2,1-3H3/t15-/m1/s1