3-[5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[4-(m-tolylmethyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[4-(3-methylbenzyl)piperazine-1-carbonyl]pyrazol-1-yl]propionic acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C19H24N4O3/c1-15-3-2-4-16(13-15)14-21-9-11-22(12-10-21)19(26)17-5-7-20-23(17)8-6-18(24)25/h2-5,7,13H,6,8-12,14H2,1H3,(H,24,25)