2-(3,4-dimethoxyphenyl)-3-[4-(diphenylamino)pyrimidin-5-yl]propanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[4-(diphenylamino)pyrimidin-5-yl]propanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid CAS Name: 2-(3,4-dimethoxyphenyl)-3-[4-(N-phenylanilino)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-3-[4-(N-phenylanilino)pyrimidin-5-yl]propionic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CN=CN=C2N(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC2=CN=CN=C2N(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C27H25N3O4/c1-33-24-14-13-19(16-25(24)34-2)23(27(31)32)15-20-17-28-18-29-26(20)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16-18,23H,15H2,1-2H3,(H,31,32)