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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(pentan-3-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1-ethylpropylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(pentan-3-ylamino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(pentan-3-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1-ethylpropylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-6-17(7-2)22-21(26)16-8-10-18(11-9-16)24-15(4)19(14(3)23-24)12-13-20(25)27-5/h8-11,17H,6-7,12-13H2,1-5H3,(H,22,26)