[(E)-5-ethoxy-2-methyl-5-oxidanylidene-4-[(phenylmethyl)amino]pent-2-enyl]phosphonic acid

Systemtic Name: [(E)-5-ethoxy-2-methyl-5-oxidanylidene-4-[(phenylmethyl)amino]pent-2-enyl]phosphonic acid Openeye Name: [(E)-4-(benzylamino)-5-ethoxy-2-methyl-5-oxo-pent-2-enyl]phosphonic acid CAS Name: [(E)-5-ethoxy-2-methyl-5-oxo-4-[(phenylmethyl)amino]pent-2-enyl]phosphonic acid IUPAC Name: [(E)-4-(benzylamino)-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid Traditional Name: [(E)-4-(benzylamino)-5-ethoxy-5-keto-2-methyl-pent-2-enyl]phosphonic acid Formula: C15H22NO5P MolecularWeight: 327.312641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C(C)CP(=O)(O)O)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(/C=C(\C)/CP(=O)(O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C15H22NO5P/c1-3-21-15(17)14(9-12(2)11-22(18,19)20)16-10-13-7-5-4-6-8-13/h4-9,14,16H,3,10-11H2,1-2H3,(H2,18,19,20)/b12-9+