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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(4-phenylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(4-phenylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(4-phenylanilino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(4-phenylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[(4-phenylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C)CCC(=O)OC

InChI

InChI=1S/C28H27N3O3/c1-19-26(17-18-27(32)34-3)20(2)31(30-19)25-15-11-23(12-16-25)28(33)29-24-13-9-22(10-14-24)21-7-5-4-6-8-21/h4-16H,17-18H2,1-3H3,(H,29,33)