dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,7-dicarboxylate

Systemtic Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,7-dicarboxylate Openeye Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,7-dicarboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-3,7-dicarboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]indole-3,7-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(=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

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