4-ethoxybenzaldehyde; (2Z)-2-[(4-ethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 4-ethoxybenzaldehyde; (2Z)-2-[(4-ethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 4-ethoxybenzaldehyde; (2Z)-2-[(4-ethoxyphenyl)methylene]quinuclidin-3-one CAS Name: 4-ethoxybenzaldehyde; (2Z)-2-[(4-ethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 4-ethoxybenzaldehyde; (2Z)-2-[(4-ethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 4-ethoxybenzaldehyde; (2Z)-2-(4-ethoxybenzylidene)quinuclidin-3-one Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=O)C3CCN2CC3.CCOC1=CC=C(C=C1)C=O

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C\2/C(=O)C3CCN2CC3.CCOC1=CC=C(C=C1)C=O

InChI

InChI=1S/C16H19NO2.C9H10O2/c1-2-19-14-5-3-12(4-6-14)11-15-16(18)13-7-9-17(15)10-8-13;1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11,13H,2,7-10H2,1H3;3-7H,2H2,1H3/b15-11-;