3-[3-methylbutanoyl-(4-propan-2-ylphenyl)amino]propanoic acid

Systemtic Name: 3-[3-methylbutanoyl-(4-propan-2-ylphenyl)amino]propanoic acid Openeye Name: 3-[4-isopropyl-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(N-(3-methyl-1-oxobutyl)-4-propan-2-ylanilino)propanoic acid IUPAC Name: 3-[N-(3-methylbutanoyl)-4-propan-2-ylanilino]propanoic acid Traditional Name: 3-(4-isopropyl-N-isovaleryl-anilino)propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC(=O)O)C1=CC=C(C=C1)C(C)C

Isomeric SMILES

CC(C)CC(=O)N(CCC(=O)O)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C17H25NO3/c1-12(2)11-16(19)18(10-9-17(20)21)15-7-5-14(6-8-15)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21)