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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(3-phenoxyphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(3-phenoxyphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[oxo-(3-phenoxyanilino)methyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(3-phenoxyphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[(3-phenoxyphenyl)carbamoyl]phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=C4)C)CCC(=O)OC

InChI

InChI=1S/C28H27N3O4/c1-19-26(16-17-27(32)34-3)20(2)31(30-19)23-14-12-21(13-15-23)28(33)29-22-8-7-11-25(18-22)35-24-9-5-4-6-10-24/h4-15,18H,16-17H2,1-3H3,(H,29,33)