3-(2-chloranyl-4-phenylazanyl-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-(2-chloranyl-4-phenylazanyl-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoic acid Openeye Name: 3-(4-anilino-2-chloro-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoic acid CAS Name: 3-(4-anilino-2-chloro-5-pyrimidinyl)-2-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(4-anilino-2-chloropyrimidin-5-yl)-2-(4-methoxyphenyl)propanoic acid Traditional Name: 3-(4-anilino-2-chloro-pyrimidin-5-yl)-2-(4-methoxyphenyl)propionic acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NC3=CC=CC=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CN=C(N=C2NC3=CC=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O3/c1-27-16-9-7-13(8-10-16)17(19(25)26)11-14-12-22-20(21)24-18(14)23-15-5-3-2-4-6-15/h2-10,12,17H,11H2,1H3,(H,25,26)(H,22,23,24)