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

Systemtic Name: 2-(ethoxycarbonylamino)-3-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(ethoxycarbonylamino)-3-[4-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(ethoxycarbonylamino)-3-[4-[3-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(ethoxycarbonylamino)-3-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(carbethoxyamino)-3-[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(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CN=CC=C3)C(=O)O

InChI

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