4-[4-(2-azanylethyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-azanylethyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-aminoethyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(2-aminoethyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-aminoethyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(2-aminoethyl)phenyl]-4-keto-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCN)C(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO3/c13-8-7-9-1-3-10(4-2-9)11(14)5-6-12(15)16/h1-4H,5-8,13H2,(H,15,16)