methyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-7-carboxylate

Systemtic Name: methyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-7-carboxylate Openeye Name: methyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-indole-7-carboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexyl-7-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-2-hexylindole-7-carboxylate Traditional Name: 1-[4-(2-cyanophenyl)benzyl]-2-hexyl-indole-7-carboxylic acid methyl ester Formula: C30H30N2O2 MolecularWeight: 450.5714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=CC=C2)C(=O)OC

InChI

InChI=1S/C30H30N2O2/c1-3-4-5-6-12-26-19-24-11-9-14-28(30(33)34-2)29(24)32(26)21-22-15-17-23(18-16-22)27-13-8-7-10-25(27)20-31/h7-11,13-19H,3-6,12,21H2,1-2H3