tert-butyl 5-cyano-2-(4-methoxyphenyl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-2-(4-methoxyphenyl)indole-1-carboxylate Openeye Name: tert-butyl 5-cyano-2-(4-methoxyphenyl)indole-1-carboxylate CAS Name: 5-cyano-2-(4-methoxyphenyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-2-(4-methoxyphenyl)indole-1-carboxylate Traditional Name: 5-cyano-2-(4-methoxyphenyl)indole-1-carboxylic acid tert-butyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)26-20(24)23-18-10-5-14(13-22)11-16(18)12-19(23)15-6-8-17(25-4)9-7-15/h5-12H,1-4H3