tert-butyl 6-chloranyl-2-[4-(4-cyanophenoxy)phenyl]indole-1-carboxylate

Systemtic Name: tert-butyl 6-chloranyl-2-[4-(4-cyanophenoxy)phenyl]indole-1-carboxylate Openeye Name: tert-butyl 6-chloro-2-[4-(4-cyanophenoxy)phenyl]indole-1-carboxylate CAS Name: 6-chloro-2-[4-(4-cyanophenoxy)phenyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-chloro-2-[4-(4-cyanophenoxy)phenyl]indole-1-carboxylate Traditional Name: 6-chloro-2-[4-(4-cyanophenoxy)phenyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21ClN2O3/c1-26(2,3)32-25(30)29-23(14-19-6-9-20(27)15-24(19)29)18-7-12-22(13-8-18)31-21-10-4-17(16-28)5-11-21/h4-15H,1-3H3