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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)OC

InChI

InChI=1S/C17H20N2O5/c1-4-23-9-13-7-12(5-6-16(13)22-3)17(21)24-10-15(20)14(8-18)11(2)19/h5-7,14,19H,4,9-10H2,1-3H3/t14-/m1/s1