(E)-5-(3-acetamidophenyl)-5-pyridin-3-yl-pent-4-enoic acid

Systemtic Name: (E)-5-(3-acetamidophenyl)-5-pyridin-3-yl-pent-4-enoic acid Openeye Name: (E)-5-(3-acetamidophenyl)-5-(3-pyridyl)pent-4-enoic acid CAS Name: (E)-5-(3-acetamidophenyl)-5-(3-pyridinyl)-4-pentenoic acid IUPAC Name: (E)-5-(3-acetamidophenyl)-5-pyridin-3-ylpent-4-enoic acid Traditional Name: (E)-5-(3-acetamidophenyl)-5-(3-pyridyl)pent-4-enoic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=CCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)/C(=C\CCC(=O)O)/C2=CN=CC=C2

InChI

InChI=1S/C18H18N2O3/c1-13(21)20-16-7-2-5-14(11-16)17(8-3-9-18(22)23)15-6-4-10-19-12-15/h2,4-8,10-12H,3,9H2,1H3,(H,20,21)(H,22,23)/b17-8+