2-[(4-ethylphenyl)carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[(4-ethylphenyl)carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[(4-ethylbenzoyl)amino]-3-phosphono-propanoic acid CAS Name: 2-[[(4-ethylphenyl)-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[(4-ethylbenzoyl)amino]-3-phosphonopropanoic acid Traditional Name: 2-[(4-ethylbenzoyl)amino]-3-phosphono-propionic acid Formula: C12H16NO6P MolecularWeight: 301.232301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H16NO6P/c1-2-8-3-5-9(6-4-8)11(14)13-10(12(15)16)7-20(17,18)19/h3-6,10H,2,7H2,1H3,(H,13,14)(H,15,16)(H2,17,18,19)