3-(4-cyanophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid

Systemtic Name: 3-(4-cyanophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Openeye Name: 3-(4-cyanophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propanoic acid CAS Name: 3-(4-cyanophenyl)-3-[2-(2-pyridinyl)ethylamino]-2-[[2-(2-pyridinyl)ethylamino]methyl]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Traditional Name: 3-(4-cyanophenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propionic acid Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)C#N)NCCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCNCC(C(C2=CC=C(C=C2)C#N)NCCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C25H27N5O2/c26-17-19-7-9-20(10-8-19)24(30-16-12-22-6-2-4-14-29-22)23(25(31)32)18-27-15-11-21-5-1-3-13-28-21/h1-10,13-14,23-24,27,30H,11-12,15-16,18H2,(H,31,32)