4-methoxy-3,5-di(propan-2-yl)benzaldehyde; (2Z)-2-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 4-methoxy-3,5-di(propan-2-yl)benzaldehyde; (2Z)-2-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 3,5-diisopropyl-4-methoxy-benzaldehyde; (2Z)-2-[(3,5-diisopropyl-4-methoxy-phenyl)methylene]quinuclidin-3-one CAS Name: 4-methoxy-3,5-di(propan-2-yl)benzaldehyde; (2Z)-2-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 4-methoxy-3,5-di(propan-2-yl)benzaldehyde; (2Z)-2-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 3,5-diisopropyl-4-methoxy-benzaldehyde; (2Z)-2-(3,5-diisopropyl-4-methoxy-benzylidene)quinuclidin-3-one Formula: C35H49NO4 MolecularWeight: 547.76786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OC)C(C)C)C=C2C(=O)C3CCN2CC3.CC(C)C1=CC(=CC(=C1OC)C(C)C)C=O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OC)C(C)C)/C=C\2/C(=O)C3CCN2CC3.CC(C)C1=CC(=CC(=C1OC)C(C)C)C=O

InChI

InChI=1S/C21H29NO2.C14H20O2/c1-13(2)17-10-15(11-18(14(3)4)21(17)24-5)12-19-20(23)16-6-8-22(19)9-7-16;1-9(2)12-6-11(8-15)7-13(10(3)4)14(12)16-5/h10-14,16H,6-9H2,1-5H3;6-10H,1-5H3/b19-12-;