methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-6-carboxylate

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-6-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-6-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-6-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]indole-6-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=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

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