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

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

Isomeric SMILES

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

InChI

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