3-[4-(2-cyanoethanoylamino)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-(2-cyanoethanoylamino)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[(2-cyanoacetyl)amino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[(2-cyano-1-oxoethyl)amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[(2-cyanoacetyl)amino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[(2-cyanoacetyl)amino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C14H19N2O4P MolecularWeight: 310.285421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CC#N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CC#N)P(=O)(O)O

InChI

InChI=1S/C14H19N2O4P/c1-3-14(4-2,21(18,19)20)11-5-7-12(8-6-11)16-13(17)9-10-15/h5-8H,3-4,9H2,1-2H3,(H,16,17)(H2,18,19,20)