[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-4-12(2)17(14-8-6-5-7-9-14)18(22)23-11-16(21)15(10-19)13(3)20/h5-9,12,15,17,20H,4,11H2,1-3H3/t12-,15+,17+/m0/s1