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2-[[2-[(undecan-3-ylamino)methyl]phenyl]carbonylamino]propanoic acid

2-[[2-[(undecan-3-ylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name:2-[[2-[(undecan-3-ylamino)methyl]phenyl]carbonylamino]propanoic acid
Openeye Name:2-[[2-[(1-ethylnonylamino)methyl]benzoyl]amino]propanoic acid
CAS Name:2-[[oxo-[2-[(undecan-3-ylamino)methyl]phenyl]methyl]amino]propanoic acid
IUPAC Name:2-[[2-[(undecan-3-ylamino)methyl]benzoyl]amino]propanoic acid
Traditional Name:2-[[2-[(1-ethylnonylamino)methyl]benzoyl]amino]propionic acid
Formula: C22H36N2O3
MolecularWeight: 376.53284
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)NCC1=CC=CC=C1C(=O)NC(C)C(=O)O


Isomeric SMILES

CCCCCCCCC(CC)NCC1=CC=CC=C1C(=O)NC(C)C(=O)O


InChI

InChI=1S/C22H36N2O3/c1-4-6-7-8-9-10-14-19(5-2)23-16-18-13-11-12-15-20(18)21(25)24-17(3)22(26)27/h11-13,15,17,19,23H,4-10,14,16H2,1-3H3,(H,24,25)(H,26,27)


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