4-[4-(1-azanylethyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(1-azanylethyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1-aminoethyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(1-aminoethyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(1-aminoethyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(1-aminoethyl)phenyl]-4-keto-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8(13)9-2-4-10(5-3-9)11(14)6-7-12(15)16/h2-5,8H,6-7,13H2,1H3,(H,15,16)