3-[(2,3,4,5,6-pentamethylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2,3,4,5,6-pentamethylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid CAS Name: 3-[[oxo-(2,3,4,5,6-pentamethylphenyl)methyl]amino]butanoic acid IUPAC Name: 3-[(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid Traditional Name: 3-[(2,3,4,5,6-pentamethylbenzoyl)amino]butyric acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)NC(C)CC(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)NC(C)CC(=O)O)C)C

InChI

InChI=1S/C16H23NO3/c1-8(7-14(18)19)17-16(20)15-12(5)10(3)9(2)11(4)13(15)6/h8H,7H2,1-6H3,(H,17,20)(H,18,19)