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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-11(2)9-24-16-6-5-13(7-17(16)23-4)18(22)25-10-15(21)14(8-19)12(3)20/h5-7,11,14,20H,9-10H2,1-4H3/t14-/m1/s1