tert-butyl 4-(2-cyanoindol-1-yl)benzoate

Systemtic Name: tert-butyl 4-(2-cyanoindol-1-yl)benzoate Openeye Name: tert-butyl 4-(2-cyanoindol-1-yl)benzoate CAS Name: 4-(2-cyano-1-indolyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyanoindol-1-yl)benzoate Traditional Name: 4-(2-cyanoindol-1-yl)benzoic acid tert-butyl ester Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C2C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C2C#N

InChI

InChI=1S/C20H18N2O2/c1-20(2,3)24-19(23)14-8-10-16(11-9-14)22-17(13-21)12-15-6-4-5-7-18(15)22/h4-12H,1-3H3