[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C(C#N)C(=N)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)[C@H](C#N)C(=N)C)OCC

InChI

InChI=1S/C20H24N2O5/c1-4-10-26-18-8-6-15(11-19(18)25-5-2)7-9-20(24)27-13-17(23)16(12-21)14(3)22/h6-9,11,16,22H,4-5,10,13H2,1-3H3/b9-7+,22-14?/t16-/m1/s1