tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 5-benzyloxy-2-(6-chloropyrimidin-4-yl)indole-1-carboxylate CAS Name: 2-(6-chloro-4-pyrimidinyl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 5-benzoxy-2-(6-chloropyrimidin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C24H22ClN3O3 MolecularWeight: 435.90278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=CC(=NC=N4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C=C1C4=CC(=NC=N4)Cl

InChI

InChI=1S/C24H22ClN3O3/c1-24(2,3)31-23(29)28-20-10-9-18(30-14-16-7-5-4-6-8-16)11-17(20)12-21(28)19-13-22(25)27-15-26-19/h4-13,15H,14H2,1-3H3