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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1C3=CC(=NC=N3)Cl)C(=CC=C2)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1C3=CC(=NC=N3)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(30-14-16-8-5-4-6-9-16)17(19)12-20(28)18-13-22(25)27-15-26-18/h4-13,15H,14H2,1-3H3