2-[3-phenyl-1-[1-phenyl-1-[2-(pyridin-2-ylamino)ethoxy]ethyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[3-phenyl-1-[1-phenyl-1-[2-(pyridin-2-ylamino)ethoxy]ethyl]pyrazol-4-yl]propanoic acid Openeye Name: 2-[3-phenyl-1-[1-phenyl-1-[2-(2-pyridylamino)ethoxy]ethyl]pyrazol-4-yl]propanoic acid CAS Name: 2-[3-phenyl-1-[1-phenyl-1-[2-(2-pyridinylamino)ethoxy]ethyl]-4-pyrazolyl]propanoic acid IUPAC Name: 2-[3-phenyl-1-[1-phenyl-1-[2-(pyridin-2-ylamino)ethoxy]ethyl]pyrazol-4-yl]propanoic acid Traditional Name: 2-[3-phenyl-1-[1-phenyl-1-[2-(2-pyridylamino)ethoxy]ethyl]pyrazol-4-yl]propionic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(N=C1C2=CC=CC=C2)C(C)(C3=CC=CC=C3)OCCNC4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC(C1=CN(N=C1C2=CC=CC=C2)C(C)(C3=CC=CC=C3)OCCNC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C27H28N4O3/c1-20(26(32)33)23-19-31(30-25(23)21-11-5-3-6-12-21)27(2,22-13-7-4-8-14-22)34-18-17-29-24-15-9-10-16-28-24/h3-16,19-20H,17-18H2,1-2H3,(H,28,29)(H,32,33)