ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate

Systemtic Name: ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[3-phenyl-1-[[3-(2-pyridylmethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate CAS Name: 3-[1-[[3-[oxo-(2-pyridinylmethylamino)methyl]phenyl]methyl]-3-phenyl-4-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3-phenyl-1-[3-(2-pyridylmethylcarbamoyl)benzyl]pyrazol-4-yl]propionic acid ethyl ester Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C28H28N4O3/c1-2-35-26(33)15-14-24-20-32(31-27(24)22-10-4-3-5-11-22)19-21-9-8-12-23(17-21)28(34)30-18-25-13-6-7-16-29-25/h3-13,16-17,20H,2,14-15,18-19H2,1H3,(H,30,34)