ethyl 2-(4-chloranylphenoxy)-3-(4-ethoxyphenyl)propanoate; 5-pyridin-2-yl-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one

Systemtic Name: ethyl 2-(4-chloranylphenoxy)-3-(4-ethoxyphenyl)propanoate; 5-pyridin-2-yl-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one Openeye Name: ethyl 2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoate; 5-(2-pyridyl)-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one CAS Name: 2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid ethyl ester; 5-(2-pyridinyl)-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one IUPAC Name: ethyl 2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoate; 5-pyridin-2-yl-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one Traditional Name: 2-(4-chlorophenoxy)-3-p-phenetyl-propionic acid ethyl ester; 5-(2-pyridyl)-2-azabicyclo[2.2.2]octa-1(6),4,7-trien-3-one Formula: C31H29ClN2O5 MolecularWeight: 545.02536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)OCC)OC2=CC=C(C=C2)Cl.C1=CC=NC(=C1)C2=C3C=CC(=C2)NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)OCC)OC2=CC=C(C=C2)Cl.C1=CC=NC(=C1)C2=C3C=CC(=C2)NC3=O

InChI

InChI=1S/C19H21ClO4.C12H8N2O/c1-3-22-16-9-5-14(6-10-16)13-18(19(21)23-4-2)24-17-11-7-15(20)8-12-17;15-12-9-5-4-8(14-12)7-10(9)11-3-1-2-6-13-11/h5-12,18H,3-4,13H2,1-2H3;1-7H,(H,14,15)