methyl 3-(3-phenylnon-4-yn-3-yl)-1H-indole-5-carboxylate

Systemtic Name: methyl 3-(3-phenylnon-4-yn-3-yl)-1H-indole-5-carboxylate Openeye Name: methyl 3-(1-ethyl-1-phenyl-hept-2-ynyl)-1H-indole-5-carboxylate CAS Name: 3-(3-phenylnon-4-yn-3-yl)-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-phenylnon-4-yn-3-yl)-1H-indole-5-carboxylate Traditional Name: 3-(1-ethyl-1-phenyl-hept-2-ynyl)-1H-indole-5-carboxylic acid methyl ester Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CC)(C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC#CC(CC)(C1=CC=CC=C1)C2=CNC3=C2C=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H27NO2/c1-4-6-7-11-16-25(5-2,20-12-9-8-10-13-20)22-18-26-23-15-14-19(17-21(22)23)24(27)28-3/h8-10,12-15,17-18,26H,4-7H2,1-3H3