tert-butyl 3-(1-cyanoethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(1-cyanoethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(1-cyanoethyl)indole-1-carboxylate CAS Name: 3-(1-cyanoethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-cyanoethyl)indole-1-carboxylate Traditional Name: 3-(1-cyanoethyl)indole-1-carboxylic acid tert-butyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C#N)C1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18N2O2/c1-11(9-17)13-10-18(15(19)20-16(2,3)4)14-8-6-5-7-12(13)14/h5-8,10-11H,1-4H3