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

Systemtic Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxidanylidene-piperidin-1-yl]ethyl-ethoxy-phosphinic acid Openeye Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylene]-4-oxo-1-piperidyl]ethyl-ethoxy-phosphinic acid CAS Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxo-1-piperidinyl]ethyl-ethoxyphosphinic acid IUPAC Name: 2-[(3E,5E)-3,5-bis[(4-dimethylaminophenyl)methylidene]-4-oxopiperidin-1-yl]ethyl-ethoxyphosphinic acid Traditional Name: 2-[(3E,5E)-3,5-bis[4-(dimethylamino)benzylidene]-4-keto-piperidino]ethyl-ethoxy-phosphinic acid Formula: C27H36N3O4P MolecularWeight: 497.566201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCN1CC(=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)CCN1C/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/C27H36N3O4P/c1-6-34-35(32,33)16-15-30-19-23(17-21-7-11-25(12-8-21)28(2)3)27(31)24(20-30)18-22-9-13-26(14-10-22)29(4)5/h7-14,17-18H,6,15-16,19-20H2,1-5H3,(H,32,33)/b23-17+,24-18+