3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(2,4,5-trimethylphenyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2,4,5-trimethylphenyl)piperazino]propionic acid Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)N2CCN(CC2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)N2CCN(CC2)CCC(=O)O)C

InChI

InChI=1S/C16H24N2O2/c1-12-10-14(3)15(11-13(12)2)18-8-6-17(7-9-18)5-4-16(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)