dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,6-dicarboxylate

Systemtic Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,6-dicarboxylate Openeye Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,6-dicarboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,6-dicarboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]indole-3,6-dicarboxylic acid dimethyl ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O4/c1-4-5-10-26-28(30(34)36-3)25-16-15-22(29(33)35-2)17-27(25)32(26)19-20-11-13-21(14-12-20)24-9-7-6-8-23(24)18-31/h6-9,11-17H,4-5,10,19H2,1-3H3