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2-azanyl-3-[3-[octan-4-yloxy(phosphono)methyl]phenyl]propanoic acid

2-azanyl-3-[3-[octan-4-yloxy(phosphono)methyl]phenyl]propanoic acid

Systemtic Name:2-azanyl-3-[3-[octan-4-yloxy(phosphono)methyl]phenyl]propanoic acid
Openeye Name:2-amino-3-[3-[phosphono(1-propylpentoxy)methyl]phenyl]propanoic acid
CAS Name:2-amino-3-[3-[octan-4-yloxy(phosphono)methyl]phenyl]propanoic acid
IUPAC Name:2-amino-3-[3-[octan-4-yloxy(phosphono)methyl]phenyl]propanoic acid
Traditional Name:2-amino-3-[3-[phosphono(1-propylpentoxy)methyl]phenyl]propionic acid
Formula: C18H30NO6P
MolecularWeight: 387.407661
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC(C1=CC=CC(=C1)CC(C(=O)O)N)P(=O)(O)O


Isomeric SMILES

CCCCC(CCC)OC(C1=CC=CC(=C1)CC(C(=O)O)N)P(=O)(O)O


InChI

InChI=1S/C18H30NO6P/c1-3-5-10-15(7-4-2)25-18(26(22,23)24)14-9-6-8-13(11-14)12-16(19)17(20)21/h6,8-9,11,15-16,18H,3-5,7,10,12,19H2,1-2H3,(H,20,21)(H2,22,23,24)


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