ethyl 1,2-dimethyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate Openeye Name: ethyl 1,2-dimethyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate CAS Name: 1,2-dimethyl-5-(1-oxo-3-phenylprop-2-ynoxy)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-dimethyl-5-(3-phenylprop-2-ynoyloxy)indole-3-carboxylate Traditional Name: 1,2-dimethyl-5-(3-phenylpropioloyl)oxy-indole-3-carboxylic acid ethyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C#CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C#CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H19NO4/c1-4-26-22(25)21-15(2)23(3)19-12-11-17(14-18(19)21)27-20(24)13-10-16-8-6-5-7-9-16/h5-9,11-12,14H,4H2,1-3H3