ethyl 2-methyl-1-phenyl-5-prop-2-ynoxy-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-phenyl-5-prop-2-ynoxy-indole-3-carboxylate Openeye Name: ethyl 2-methyl-1-phenyl-5-prop-2-ynoxy-indole-3-carboxylate CAS Name: 2-methyl-1-phenyl-5-prop-2-ynoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-phenyl-5-prop-2-ynoxyindole-3-carboxylate Traditional Name: 2-methyl-1-phenyl-5-propargyloxy-indole-3-carboxylic acid ethyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC#C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC#C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19NO3/c1-4-13-25-17-11-12-19-18(14-17)20(21(23)24-5-2)15(3)22(19)16-9-7-6-8-10-16/h1,6-12,14H,5,13H2,2-3H3