2,2-diethyl-4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-(3-ethynylanilino)-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-(3-ethynylanilino)-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-(3-ethynylanilino)-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-(3-ethynylanilino)-4-keto-butyric acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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