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

Systemtic Name: 2-[4-(4-methyl-3-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-hydroxy-4-methyl-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-hydroxy-4-methylbenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-hydroxy-4-methyl-benzoyl)piperazino]acetic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-10-2-3-11(8-12(10)17)14(20)16-6-4-15(5-7-16)9-13(18)19/h2-3,8,17H,4-7,9H2,1H3,(H,18,19)