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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(5-methylhexan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,4-dimethylpentylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[(5-methylhexan-2-ylamino)-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-(5-methylhexan-2-ylcarbamoyl)phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1,4-dimethylpentylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-15(2)7-8-16(3)24-23(28)19-9-11-20(12-10-19)26-18(5)21(17(4)25-26)13-14-22(27)29-6/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,24,28)