3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-ethylbenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-ethylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-ethylbenzoyl)piperazino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C16H22N2O3/c1-2-13-3-5-14(6-4-13)16(21)18-11-9-17(10-12-18)8-7-15(19)20/h3-6H,2,7-12H2,1H3,(H,19,20)