2-[3-phenyl-1-[[3-(2-pyridin-2-ylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[3-phenyl-1-[[3-(2-pyridin-2-ylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoic acid Openeye Name: 2-[3-phenyl-1-[[3-[2-(2-pyridyl)ethylcarbamoyl]phenyl]methyl]pyrazol-4-yl]propanoic acid CAS Name: 2-[1-[[3-[oxo-[2-(2-pyridinyl)ethylamino]methyl]phenyl]methyl]-3-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 2-[3-phenyl-1-[[3-(2-pyridin-2-ylethylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoic acid Traditional Name: 2-[3-phenyl-1-[3-[2-(2-pyridyl)ethylcarbamoyl]benzyl]pyrazol-4-yl]propionic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC(C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C27H26N4O3/c1-19(27(33)34)24-18-31(30-25(24)21-9-3-2-4-10-21)17-20-8-7-11-22(16-20)26(32)29-15-13-23-12-5-6-14-28-23/h2-12,14,16,18-19H,13,15,17H2,1H3,(H,29,32)(H,33,34)