[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-ethoxyphenyl)propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic 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:

CCOC1=CC=CC=C1CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

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