methyl 2-butyl-6-chloranyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylate

Systemtic Name: methyl 2-butyl-6-chloranyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylate Openeye Name: methyl 2-butyl-6-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-indole-3-carboxylate CAS Name: 2-butyl-6-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-6-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-methylindole-3-carboxylate Traditional Name: 2-butyl-6-chloro-1-[4-(2-cyanophenyl)benzyl]-7-methyl-indole-3-carboxylic acid methyl ester Formula: C29H27ClN2O2 MolecularWeight: 470.98988

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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)Cl)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O2/c1-4-5-10-26-27(29(33)34-3)24-15-16-25(30)19(2)28(24)32(26)18-20-11-13-21(14-12-20)23-9-7-6-8-22(23)17-31/h6-9,11-16H,4-5,10,18H2,1-3H3