ethyl 1-non-2-ynylindole-2-carboxylate

Systemtic Name: ethyl 1-non-2-ynylindole-2-carboxylate Openeye Name: ethyl 1-non-2-ynylindole-2-carboxylate CAS Name: 1-non-2-ynyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-non-2-ynylindole-2-carboxylate Traditional Name: 1-non-2-ynylindole-2-carboxylic acid ethyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCN1C2=CC=CC=C2C=C1C(=O)OCC

Isomeric SMILES

CCCCCCC#CCN1C2=CC=CC=C2C=C1C(=O)OCC

InChI

InChI=1S/C20H25NO2/c1-3-5-6-7-8-9-12-15-21-18-14-11-10-13-17(18)16-19(21)20(22)23-4-2/h10-11,13-14,16H,3-8,15H2,1-2H3