(E)-3-[3-[6-(2-acetamidoethylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[6-(2-acetamidoethylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[6-(2-acetamidoethylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[6-(2-acetamidoethylamino)-2-pyrazinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[6-(2-acetamidoethylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[6-(2-acetamidoethylamino)pyrazin-2-yl]phenyl]acrylic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=CN=C1)C2=CC(=CC=C2)C=CC(=O)O

Isomeric SMILES

CC(=O)NCCNC1=NC(=CN=C1)C2=CC(=CC=C2)/C=C/C(=O)O

InChI

InChI=1S/C17H18N4O3/c1-12(22)19-7-8-20-16-11-18-10-15(21-16)14-4-2-3-13(9-14)5-6-17(23)24/h2-6,9-11H,7-8H2,1H3,(H,19,22)(H,20,21)(H,23,24)/b6-5+