2-(2-ethylhexylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-ethylhexylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(2-ethylhexylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(2-ethylhexylamino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(2-ethylhexylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(2-ethylhexylcarbamoylamino)-3-phenyl-propionic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)CNC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-3-5-9-14(4-2)13-19-18(23)20-16(17(21)22)12-15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3,(H,21,22)(H2,19,20,23)