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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C)(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)NC(C)(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C25H26N4O5/c1-3-34-24(33)29-25(2,22(30)31)20-9-7-18(8-10-20)19-5-4-6-21(15-19)28-23(32)27-16-17-11-13-26-14-12-17/h4-15H,3,16H2,1-2H3,(H,29,33)(H,30,31)(H2,27,28,32)