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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)N2CCN(CC2)CCC(=O)O

InChI

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