3-[4-(cyclopropylmethylamino)-2-phenylazanyl-pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-[4-(cyclopropylmethylamino)-2-phenylazanyl-pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid CAS Name: 3-[2-anilino-4-(cyclopropylmethylamino)-5-pyrimidinyl]-2-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[2-anilino-4-(cyclopropylmethylamino)pyrimidin-5-yl]-2-(4-methoxyphenyl)propionic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NCC3CC3)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NCC3CC3)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H26N4O3/c1-31-20-11-9-17(10-12-20)21(23(29)30)13-18-15-26-24(27-19-5-3-2-4-6-19)28-22(18)25-14-16-7-8-16/h2-6,9-12,15-16,21H,7-8,13-14H2,1H3,(H,29,30)(H2,25,26,27,28)