4-[(3-ethynylphenyl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(3-ethynylphenyl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-(3-ethynylanilino)-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-(3-ethynylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-(3-ethynylanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-(3-ethynylanilino)-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)O

Isomeric SMILES

CC(C)C(C)(CC(=O)NC1=CC=CC(=C1)C#C)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-5-12-7-6-8-13(9-12)17-14(18)10-16(4,11(2)3)15(19)20/h1,6-9,11H,10H2,2-4H3,(H,17,18)(H,19,20)