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

Systemtic Name: tert-butyl 2-(6-chloranylpyrimidin-4-yl)-6-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 6-benzyloxy-2-(6-chloropyrimidin-4-yl)indole-1-carboxylate CAS Name: 2-(6-chloro-4-pyrimidinyl)-6-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-6-phenylmethoxyindole-1-carboxylate Traditional Name: 6-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)N1C(=CC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC(=NC=N4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC(=NC=N4)Cl

InChI

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