2-[3-[1-(4-butan-2-ylphenyl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[1-(4-butan-2-ylphenyl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[1-(4-sec-butylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(4-butan-2-ylphenyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(4-butan-2-ylphenyl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[1-(4-sec-butylphenyl)propylamino]propyl]pyrazole-3-carboxylic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C20H27N3O3/c1-4-14(3)15-6-8-16(9-7-15)17(5-2)22-19(24)11-13-23-18(20(25)26)10-12-21-23/h6-10,12,14,17H,4-5,11,13H2,1-3H3,(H,22,24)(H,25,26)