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

Systemtic Name: tert-butyl 2-(2-chloranylpyrimidin-4-yl)-4-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 4-benzyloxy-2-(2-chloropyrimidin-4-yl)indole-1-carboxylate CAS Name: 2-(2-chloro-4-pyrimidinyl)-4-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloropyrimidin-4-yl)-4-phenylmethoxyindole-1-carboxylate Traditional Name: 4-benzoxy-2-(2-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=C1C3=NC(=NC=C3)Cl)C(=CC=C2)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1C3=NC(=NC=C3)Cl)C(=CC=C2)OCC4=CC=CC=C4

InChI

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