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3-[(4-octylphenyl)carbamoylamino]propanoic acid

3-[(4-octylphenyl)carbamoylamino]propanoic acid

Systemtic Name:3-[(4-octylphenyl)carbamoylamino]propanoic acid
Openeye Name:3-[(4-octylphenyl)carbamoylamino]propanoic acid
CAS Name:3-[[(4-octylanilino)-oxomethyl]amino]propanoic acid
IUPAC Name:3-[(4-octylphenyl)carbamoylamino]propanoic acid
Traditional Name:3-[(4-octylphenyl)carbamoylamino]propionic acid
Formula: C18H28N2O3
MolecularWeight: 320.42652
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)NCCC(=O)O


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)NCCC(=O)O


InChI

InChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(23)19-14-13-17(21)22/h9-12H,2-8,13-14H2,1H3,(H,21,22)(H2,19,20,23)


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