methyl 3-[1-[4-(hexylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(hexylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(hexylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(hexylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(hexylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(hexylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

InChI

InChI=1S/C22H31N3O3/c1-5-6-7-8-15-23-22(27)18-9-11-19(12-10-18)25-17(3)20(16(2)24-25)13-14-21(26)28-4/h9-12H,5-8,13-15H2,1-4H3,(H,23,27)