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2-[(4-nonylphenyl)methylamino]-4-phosphono-butanoic acid

2-[(4-nonylphenyl)methylamino]-4-phosphono-butanoic acid

Systemtic Name:2-[(4-nonylphenyl)methylamino]-4-phosphono-butanoic acid
Openeye Name:2-[(4-nonylphenyl)methylamino]-4-phosphono-butanoic acid
CAS Name:2-[(4-nonylphenyl)methylamino]-4-phosphonobutanoic acid
IUPAC Name:2-[(4-nonylphenyl)methylamino]-4-phosphonobutanoic acid
Traditional Name:2-[(4-nonylbenzyl)amino]-4-phosphono-butyric acid
Formula: C20H34NO5P
MolecularWeight: 399.461421
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CNC(CCP(=O)(O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CNC(CCP(=O)(O)O)C(=O)O


InChI

InChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)16-21-19(20(22)23)14-15-27(24,25)26/h10-13,19,21H,2-9,14-16H2,1H3,(H,22,23)(H2,24,25,26)


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