2-[1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-1-(p-tolylmethyl)piperazin-2-yl]acetic acid CAS Name: 2-[1-[(4-methylphenyl)methyl]-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[3-keto-1-(4-methylbenzyl)piperazin-2-yl]acetic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCNC(=O)C2CC(=O)O

InChI

InChI=1S/C14H18N2O3/c1-10-2-4-11(5-3-10)9-16-7-6-15-14(19)12(16)8-13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)