(E)-7-(3-acetamidophenyl)-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-(3-acetamidophenyl)-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-(3-acetamidophenyl)-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-(3-acetamidophenyl)-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-(3-acetamidophenyl)-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-(3-acetamidophenyl)-7-(3-pyridyl)hept-6-enoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-15(23)22-18-9-5-7-16(13-18)19(17-8-6-12-21-14-17)10-3-2-4-11-20(24)25/h5-10,12-14H,2-4,11H2,1H3,(H,22,23)(H,24,25)/b19-10+