2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid

Systemtic Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethylphosphonic acid Openeye Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-4-oxo-1-piperidyl]ethylphosphonic acid CAS Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxo-1-piperidinyl]ethylphosphonic acid IUPAC Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxopiperidin-1-yl]ethylphosphonic acid Traditional Name: 2-[(3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-4-keto-piperidino]ethylphosphonic acid Formula: C25H32N3O4P MolecularWeight: 469.513041

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)N(C)C)C2=O)CCP(=O)(O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/CN(C2)CCP(=O)(O)O)C

InChI

InChI=1S/C25H32N3O4P/c1-26(2)23-9-5-19(6-10-23)15-21-17-28(13-14-33(30,31)32)18-22(25(21)29)16-20-7-11-24(12-8-20)27(3)4/h5-12,15-16H,13-14,17-18H2,1-4H3,(H2,30,31,32)/b21-15+,22-16+