[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-12(2)15-7-4-14(5-8-15)6-9-18(22)23-11-17(21)16(10-19)13(3)20/h4-9,12,16,20H,11H2,1-3H3/b9-6+,20-13?/t16-/m1/s1