3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(2-pyrazol-1-ylethanoyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(2-pyrazol-1-ylethanoyl)phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(2-pyrazol-1-ylacetyl)phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[1-oxo-2-(1-pyrazolyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(2-pyrazol-1-ylacetyl)phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(2-pyrazol-1-ylacetyl)phenyl]propionic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)C(=O)CN3C=CC=N3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)C(=O)CN3C=CC=N3)CCC(=O)O)C

InChI

InChI=1S/C28H33N3O4/c1-18(2)12-25(23-14-19(3)13-20(4)15-23)30-28(35)24-16-22(7-6-21(24)8-9-27(33)34)26(32)17-31-11-5-10-29-31/h5-7,10-11,13-16,18,25H,8-9,12,17H2,1-4H3,(H,30,35)(H,33,34)