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

Systemtic Name: 2-(2-ethylhexanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(2-ethylhexanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-(2-ethylhexanoylamino)-3-phenylpropanoic acid Traditional Name: 2-(2-ethylhexanoylamino)-3-phenyl-propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-3-5-11-14(4-2)16(19)18-15(17(20)21)12-13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H,18,19)(H,20,21)