methyl 3-(2-chloranyl-4-phenylazanyl-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate

Systemtic Name: methyl 3-(2-chloranyl-4-phenylazanyl-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate Openeye Name: methyl 3-(4-anilino-2-chloro-pyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate CAS Name: 3-(4-anilino-2-chloro-5-pyrimidinyl)-2-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-anilino-2-chloropyrimidin-5-yl)-2-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-anilino-2-chloro-pyrimidin-5-yl)-2-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-27-17-10-8-14(9-11-17)18(20(26)28-2)12-15-13-23-21(22)25-19(15)24-16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3,(H,23,24,25)