ethyl 7-(3-ethoxy-4-phenylmethoxy-phenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-(3-ethoxy-4-phenylmethoxy-phenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(4-benzyloxy-3-ethoxy-phenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(3-ethoxy-4-phenylmethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-ethoxy-4-phenylmethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(4-benzoxy-3-ethoxy-phenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4/c1-3-35-24-17-22(15-16-23(24)37-18-20-11-7-5-8-12-20)27-25(28(34)36-4-2)26(21-13-9-6-10-14-21)32-29-30-19-31-33(27)29/h5-17,19,27H,3-4,18H2,1-2H3,(H,30,31,32)