3-[4-methoxy-3-[(3-phenylprop-2-ynoylamino)methyl]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-methoxy-3-[(3-phenylprop-2-ynoylamino)methyl]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-methoxy-3-[(3-phenylprop-2-ynoylamino)methyl]phenyl]propanoic acid CAS Name: 3-[4-methoxy-3-[[(1-oxo-3-phenylprop-2-ynyl)amino]methyl]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-methoxy-3-[(3-phenylprop-2-ynoylamino)methyl]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[4-methoxy-3-[[(3-phenylpropioloyl)amino]methyl]phenyl]propionic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC(=C(C=C1)OC)CNC(=O)C#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC(=C(C=C1)OC)CNC(=O)C#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H25NO5/c1-16(2)29-21(23(26)27)14-18-9-11-20(28-3)19(13-18)15-24-22(25)12-10-17-7-5-4-6-8-17/h4-9,11,13,16,21H,14-15H2,1-3H3,(H,24,25)(H,26,27)