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

Systemtic Name: 3-methyl-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]butanoic acid Openeye Name: 3-methyl-2-[4-(p-tolylmethyl)piperazin-1-yl]butanoic acid CAS Name: 3-methyl-2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-methyl-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]butanoic acid Traditional Name: 3-methyl-2-[4-(4-methylbenzyl)piperazino]butyric acid Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(C(C)C)C(=O)O

InChI

InChI=1S/C17H26N2O2/c1-13(2)16(17(20)21)19-10-8-18(9-11-19)12-15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,20,21)