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

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]indole-7-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/c1-3-4-10-24-17-22-9-7-12-26(28(31)32-2)27(22)30(24)19-20-13-15-21(16-14-20)25-11-6-5-8-23(25)18-29/h5-9,11-17H,3-4,10,19H2,1-2H3