5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]amino]-5-keto-valeric acid Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CCCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CCCC(=O)O)C

InChI

InChI=1S/C18H23N3O3/c1-12-7-9-15(10-8-12)11-21-14(3)18(13(2)20-21)19-16(22)5-4-6-17(23)24/h7-10H,4-6,11H2,1-3H3,(H,19,22)(H,23,24)