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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-[2-(2-pyridinyl)ethylamino]-2-[[2-(2-pyridinyl)ethylamino]methyl]propanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-3-[2-(2-pyridyl)ethylamino]-2-[[2-(2-pyridyl)ethylamino]methyl]propionic acid Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CNCCC2=CC=CC=N2)C(=O)O)NCCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(CNCCC2=CC=CC=N2)C(=O)O)NCCC3=CC=CC=N3

InChI

InChI=1S/C26H30N4O4/c1-34-26(33)20-10-8-19(9-11-20)24(30-17-13-22-7-3-5-15-29-22)23(25(31)32)18-27-16-12-21-6-2-4-14-28-21/h2-11,14-15,23-24,27,30H,12-13,16-18H2,1H3,(H,31,32)