ethyl 2-[5-(2-cyanophenyl)indol-1-yl]octanoate

Systemtic Name: ethyl 2-[5-(2-cyanophenyl)indol-1-yl]octanoate Openeye Name: ethyl 2-[5-(2-cyanophenyl)indol-1-yl]octanoate CAS Name: 2-[5-(2-cyanophenyl)-1-indolyl]octanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-cyanophenyl)indol-1-yl]octanoate Traditional Name: 2-[5-(2-cyanophenyl)indol-1-yl]caprylic acid ethyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C=CC2=C1C=CC(=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C=CC2=C1C=CC(=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-7-12-24(25(28)29-4-2)27-16-15-20-17-19(13-14-23(20)27)22-11-9-8-10-21(22)18-26/h8-11,13-17,24H,3-7,12H2,1-2H3