4-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]butyl-ethoxy-phosphinic acid

Systemtic Name: 4-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]butyl-ethoxy-phosphinic acid Openeye Name: 4-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-4-oxo-1-piperidyl]butyl-ethoxy-phosphinic acid CAS Name: 4-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxo-1-piperidinyl]butyl-ethoxyphosphinic acid IUPAC Name: 4-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxopiperidin-1-yl]butyl-ethoxyphosphinic acid Traditional Name: 4-[(3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-4-keto-piperidino]butyl-ethoxy-phosphinic acid Formula: C29H40N3O4P MolecularWeight: 525.619361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCN1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1)O

Isomeric SMILES

CCOP(=O)(O)CCCCN1C/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C1

InChI

InChI=1S/C29H40N3O4P/c1-6-36-37(34,35)18-8-7-17-32-21-25(19-23-9-13-27(14-10-23)30(2)3)29(33)26(22-32)20-24-11-15-28(16-12-24)31(4)5/h9-16,19-20H,6-8,17-18,21-22H2,1-5H3,(H,34,35)/b25-19+,26-20+