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

Systemtic Name: 3-(2-ethylhexanoylamino)-3-phenyl-propanoic acid Openeye Name: 3-(2-ethylhexanoylamino)-3-phenyl-propanoic acid CAS Name: 3-[(2-ethyl-1-oxohexyl)amino]-3-phenylpropanoic acid IUPAC Name: 3-(2-ethylhexanoylamino)-3-phenylpropanoic acid Traditional Name: 3-(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(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

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