3-[5-[[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[5-methyl-1-(o-tolylmethyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[5-methyl-1-[(2-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[5-methyl-1-(2-methylbenzyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=CC(=N2)NC(=O)C3=CC=NN3CCC(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=CC(=N2)NC(=O)C3=CC=NN3CCC(=O)O)C

InChI

InChI=1S/C19H21N5O3/c1-13-5-3-4-6-15(13)12-24-14(2)11-17(22-24)21-19(27)16-7-9-20-23(16)10-8-18(25)26/h3-7,9,11H,8,10,12H2,1-2H3,(H,25,26)(H,21,22,27)