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

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

Isomeric SMILES

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

InChI

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