3-ethoxy-4-methoxy-benzaldehyde; (2Z)-2-[(3-ethoxy-4-methoxy-phenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 3-ethoxy-4-methoxy-benzaldehyde; (2Z)-2-[(3-ethoxy-4-methoxy-phenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 3-ethoxy-4-methoxy-benzaldehyde; (2Z)-2-[(3-ethoxy-4-methoxy-phenyl)methylene]quinuclidin-3-one CAS Name: 3-ethoxy-4-methoxybenzaldehyde; (2Z)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde; (2Z)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 3-ethoxy-4-methoxy-benzaldehyde; (2Z)-2-(3-ethoxy-4-methoxy-benzylidene)quinuclidin-3-one Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3.C10H12O3/c1-3-21-16-11-12(4-5-15(16)20-2)10-14-17(19)13-6-8-18(14)9-7-13;1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-5,10-11,13H,3,6-9H2,1-2H3;4-7H,3H2,1-2H3/b14-10-;