ethyl 3-[1-(4-methylphenyl)-3-phenyl-prop-2-ynyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[1-(4-methylphenyl)-3-phenyl-prop-2-ynyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-phenyl-1-(p-tolyl)prop-2-ynyl]-1H-indole-2-carboxylate CAS Name: 3-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-1H-indole-2-carboxylate Traditional Name: 3-[3-phenyl-1-(p-tolyl)prop-2-ynyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C27H23NO2 MolecularWeight: 393.47702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C#CC3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C#CC3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H23NO2/c1-3-30-27(29)26-25(23-11-7-8-12-24(23)28-26)22(21-16-13-19(2)14-17-21)18-15-20-9-5-4-6-10-20/h4-14,16-17,22,28H,3H2,1-2H3