ethyl 2-ethynyl-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 2-ethynyl-1-methyl-indole-3-carboxylate Openeye Name: ethyl 2-ethynyl-1-methyl-indole-3-carboxylate CAS Name: 2-ethynyl-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-ethynyl-1-methylindole-3-carboxylate Traditional Name: 2-ethynyl-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=C21)C)C#C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=C21)C)C#C

InChI

InChI=1S/C14H13NO2/c1-4-11-13(14(16)17-5-2)10-8-6-7-9-12(10)15(11)3/h1,6-9H,5H2,2-3H3