(E)-3-[2,4-bis(butanoylamino)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-bis(butanoylamino)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[2,4-bis(butanoylamino)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[2,4-bis(1-oxobutylamino)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[2,4-bis(butanoylamino)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-2-cyano-3-(2,4-dibutyramidophenyl)acrylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)C=C(C#N)C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)O)NC(=O)CCC

InChI

InChI=1S/C18H21N3O4/c1-3-5-16(22)20-14-8-7-12(9-13(11-19)18(24)25)15(10-14)21-17(23)6-4-2/h7-10H,3-6H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/b13-9+