3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[3-(phenylcarbonyl)pyridin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[3-(phenylcarbonyl)pyridin-4-yl]amino]propanoic acid Openeye Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(3-benzoyl-4-pyridyl)amino]propanoic acid CAS Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(3-benzoyl-4-pyridinyl)amino]propanoic acid IUPAC Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(3-benzoylpyridin-4-yl)amino]propanoic acid Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(3-benzoyl-4-pyridyl)amino]propionic acid Formula: C31H28N4O5 MolecularWeight: 536.57782

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=NC=C2)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=NC=C2)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C31H28N4O5/c1-35(31-34-26-9-5-6-10-28(26)40-31)17-18-39-23-13-11-21(12-14-23)19-27(30(37)38)33-25-15-16-32-20-24(25)29(36)22-7-3-2-4-8-22/h2-16,20,27H,17-19H2,1H3,(H,32,33)(H,37,38)