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

Systemtic Name: 2-(ethoxycarbonylamino)-2-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(ethoxycarbonylamino)-2-[4-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(ethoxycarbonylamino)-2-[4-[3-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(ethoxycarbonylamino)-2-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(carbethoxyamino)-2-[4-[3-(3-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=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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