(E)-3-[3-(2-butoxy-3,5-ditert-butyl-phenyl)-1H-indol-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[3-(2-butoxy-3,5-ditert-butyl-phenyl)-1H-indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[3-(2-butoxy-3,5-ditert-butyl-phenyl)-1H-indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[3-(2-butoxy-3,5-ditert-butylphenyl)-1H-indol-5-yl]-2-butenoic acid IUPAC Name: (E)-3-[3-(2-butoxy-3,5-ditert-butylphenyl)-1H-indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[3-(2-butoxy-3,5-ditert-butyl-phenyl)-1H-indol-5-yl]but-2-enoic acid Formula: C30H39NO3 MolecularWeight: 461.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CNC3=C2C=C(C=C3)C(=CC(=O)O)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CNC3=C2C=C(C=C3)/C(=C/C(=O)O)/C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C30H39NO3/c1-9-10-13-34-28-23(16-21(29(3,4)5)17-25(28)30(6,7)8)24-18-31-26-12-11-20(15-22(24)26)19(2)14-27(32)33/h11-12,14-18,31H,9-10,13H2,1-8H3,(H,32,33)/b19-14+