2-azanyl-3-[4-butoxy-3-(phosphonomethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-butoxy-3-(phosphonomethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-butoxy-3-(phosphonomethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-butoxy-3-(phosphonomethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-butoxy-3-(phosphonomethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-butoxy-3-(phosphonomethyl)phenyl]propionic acid Formula: C14H22NO6P MolecularWeight: 331.301341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CC(C(=O)O)N)CP(=O)(O)O

InChI

InChI=1S/C14H22NO6P/c1-2-3-6-21-13-5-4-10(8-12(15)14(16)17)7-11(13)9-22(18,19)20/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H,16,17)(H2,18,19,20)