tert-butyl 2-[4-[2,4-bis(chloranyl)phenoxy]phenyl]-6-cyano-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[2,4-bis(chloranyl)phenoxy]phenyl]-6-cyano-indole-1-carboxylate Openeye Name: tert-butyl 6-cyano-2-[4-(2,4-dichlorophenoxy)phenyl]indole-1-carboxylate CAS Name: 6-cyano-2-[4-(2,4-dichlorophenoxy)phenyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyano-2-[4-(2,4-dichlorophenoxy)phenyl]indole-1-carboxylate Traditional Name: 6-cyano-2-[4-(2,4-dichlorophenoxy)phenyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H20Cl2N2O3 MolecularWeight: 479.3546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20Cl2N2O3/c1-26(2,3)33-25(31)30-22-12-16(15-29)4-5-18(22)13-23(30)17-6-9-20(10-7-17)32-24-11-8-19(27)14-21(24)28/h4-14H,1-3H3