(E)-3-[4-(6-oxidanylideneheptanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(6-oxidanylideneheptanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(6-oxoheptanoylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1,6-dioxoheptylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(6-oxoheptanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(6-ketoheptanoylamino)phenyl]acrylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC(=O)NC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(=O)CCCCC(=O)NC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C16H19NO4/c1-12(18)4-2-3-5-15(19)17-14-9-6-13(7-10-14)8-11-16(20)21/h6-11H,2-5H2,1H3,(H,17,19)(H,20,21)/b11-8+