(3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid

Systemtic Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid Openeye Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid CAS Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid IUPAC Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid Traditional Name: (3S)-3-(2-methyl-1,2,4-triazol-3-yl)-3-[4-(3-phenoxybenzyl)oxyphenyl]propionic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C(CC(=O)O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC=N1)[C@@H](CC(=O)O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-28-25(26-17-27-28)23(15-24(29)30)19-10-12-20(13-11-19)31-16-18-6-5-9-22(14-18)32-21-7-3-2-4-8-21/h2-14,17,23H,15-16H2,1H3,(H,29,30)/t23-/m0/s1