3-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-hydroxy-4-methyl-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-hydroxy-4-methyl-benzoyl)piperazino]propionic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O)O

InChI

InChI=1S/C15H20N2O4/c1-11-2-3-12(13(18)10-11)15(21)17-8-6-16(7-9-17)5-4-14(19)20/h2-3,10,18H,4-9H2,1H3,(H,19,20)