ethyl 3-[2,4-bis(phenylazanyl)pyrimidin-5-yl]-2-(2,5-dimethoxyphenyl)propanoate

Systemtic Name: ethyl 3-[2,4-bis(phenylazanyl)pyrimidin-5-yl]-2-(2,5-dimethoxyphenyl)propanoate Openeye Name: ethyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(2,5-dimethoxyphenyl)propanoate CAS Name: 3-(2,4-dianilino-5-pyrimidinyl)-2-(2,5-dimethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2,4-dianilinopyrimidin-5-yl)-2-(2,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2,4-dianilinopyrimidin-5-yl)-2-(2,5-dimethoxyphenyl)propionic acid ethyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=C(N=C1NC2=CC=CC=C2)NC3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C(CC1=CN=C(N=C1NC2=CC=CC=C2)NC3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C29H30N4O4/c1-4-37-28(34)25(24-18-23(35-2)15-16-26(24)36-3)17-20-19-30-29(32-22-13-9-6-10-14-22)33-27(20)31-21-11-7-5-8-12-21/h5-16,18-19,25H,4,17H2,1-3H3,(H2,30,31,32,33)