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

Systemtic Name: methyl 2-butyl-3-chloranyl-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate Openeye Name: methyl 2-butyl-3-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate CAS Name: 2-butyl-3-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]-7-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-chloro-1-[[4-(2-cyanophenyl)phenyl]methyl]indole-7-carboxylate Traditional Name: 2-butyl-3-chloro-1-[4-(2-cyanophenyl)benzyl]indole-7-carboxylic acid methyl ester Formula: C28H25ClN2O2 MolecularWeight: 456.9633

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN2O2/c1-3-4-12-25-26(29)23-10-7-11-24(28(32)33-2)27(23)31(25)18-19-13-15-20(16-14-19)22-9-6-5-8-21(22)17-30/h5-11,13-16H,3-4,12,18H2,1-2H3