2-(4-butylphenyl)-4-(methylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-butylphenyl)-4-(methylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-butylphenyl)-4-(methylamino)-4-oxo-butanoic acid CAS Name: 2-(4-butylphenyl)-4-(methylamino)-4-oxobutanoic acid IUPAC Name: 2-(4-butylphenyl)-4-(methylamino)-4-oxobutanoic acid Traditional Name: 2-(4-butylphenyl)-4-keto-4-(methylamino)butyric acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O

InChI

InChI=1S/C15H21NO3/c1-3-4-5-11-6-8-12(9-7-11)13(15(18)19)10-14(17)16-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)