methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-5-carboxylate

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-5-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-5-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-5-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]indole-5-carboxylic acid methyl ester Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C28H26N2O2/c1-3-4-8-25-17-24-16-22(28(31)32-2)14-15-27(24)30(25)19-20-10-12-21(13-11-20)26-9-6-5-7-23(26)18-29/h5-7,9-17H,3-4,8,19H2,1-2H3