butan-1-amine; (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid

Systemtic Name: butan-1-amine; (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid Openeye Name: butan-1-amine; (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid CAS Name: 1-butanamine; (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid IUPAC Name: butan-1-amine; (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid Traditional Name: butylamine; (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.C1=CC(=CC=C1C=C(C#N)C(=O)O)O

Isomeric SMILES

CCCCN.C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)O

InChI

InChI=1S/C10H7NO3.C4H11N/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7;1-2-3-4-5/h1-5,12H,(H,13,14);2-5H2,1H3/b8-5+;