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

Systemtic Name: 4-propoxybenzaldehyde; (2Z)-2-[(4-propoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 4-propoxybenzaldehyde; (2Z)-2-[(4-propoxyphenyl)methylene]quinuclidin-3-one CAS Name: 4-propoxybenzaldehyde; (2Z)-2-[(4-propoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 4-propoxybenzaldehyde; (2Z)-2-[(4-propoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 4-propoxybenzaldehyde; (2Z)-2-(4-propoxybenzylidene)quinuclidin-3-one Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C2C(=O)C3CCN2CC3.CCCOC1=CC=C(C=C1)C=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3CCN2CC3.CCCOC1=CC=C(C=C1)C=O

InChI

InChI=1S/C17H21NO2.C10H12O2/c1-2-11-20-15-5-3-13(4-6-15)12-16-17(19)14-7-9-18(16)10-8-14;1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,12,14H,2,7-11H2,1H3;3-6,8H,2,7H2,1H3/b16-12-;