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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Openeye Name: 3-(4-methoxycarbonylphenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propanoic acid CAS Name: 3-(4-methoxycarbonylphenyl)-3-(2-pyridinylmethylamino)-2-[(2-pyridinylmethylamino)methyl]propanoic acid IUPAC Name: 3-(4-methoxycarbonylphenyl)-3-(pyridin-2-ylmethylamino)-2-[(pyridin-2-ylmethylamino)methyl]propanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-3-(2-pyridylmethylamino)-2-[(2-pyridylmethylamino)methyl]propionic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CNCC2=CC=CC=N2)C(=O)O)NCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C(CNCC2=CC=CC=N2)C(=O)O)NCC3=CC=CC=N3

InChI

InChI=1S/C24H26N4O4/c1-32-24(31)18-10-8-17(9-11-18)22(28-15-20-7-3-5-13-27-20)21(23(29)30)16-25-14-19-6-2-4-12-26-19/h2-13,21-22,25,28H,14-16H2,1H3,(H,29,30)