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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(2-phenylazanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(2-anilinoanilino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-[(2-anilinophenyl)carbamoyl]phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC=CC=C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC=CC=C4)C)CCC(=O)OC

InChI

InChI=1S/C28H28N4O3/c1-19-24(17-18-27(33)35-3)20(2)32(31-19)23-15-13-21(14-16-23)28(34)30-26-12-8-7-11-25(26)29-22-9-5-4-6-10-22/h4-16,29H,17-18H2,1-3H3,(H,30,34)