2-(ethoxycarbonylamino)-3-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-(ethoxycarbonylamino)-3-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(ethoxycarbonylamino)-3-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(ethoxycarbonylamino)-3-[4-[3-[[oxo-(2-pyridinylmethylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(ethoxycarbonylamino)-3-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(carbethoxyamino)-3-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CCOC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C25H26N4O5/c1-2-34-25(33)29-22(23(30)31)14-17-9-11-18(12-10-17)19-6-5-8-20(15-19)28-24(32)27-16-21-7-3-4-13-26-21/h3-13,15,22H,2,14,16H2,1H3,(H,29,33)(H,30,31)(H2,27,28,32)