methyl 3-[3,5-dimethyl-1-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(2-oxolanylmethylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-(tetrahydrofurfurylcarbamoyl)phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3CCCO3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3CCCO3)C)CCC(=O)OC

InChI

InChI=1S/C21H27N3O4/c1-14-19(10-11-20(25)27-3)15(2)24(23-14)17-8-6-16(7-9-17)21(26)22-13-18-5-4-12-28-18/h6-9,18H,4-5,10-13H2,1-3H3,(H,22,26)