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

Systemtic Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-1H-indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-1H-indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxyphenyl)-1H-indol-5-yl]-2-butenoic acid IUPAC Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxyphenyl)-1H-indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[3-(3,5-ditert-butyl-2-propoxy-phenyl)-1H-indol-5-yl]but-2-enoic acid Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C29H37NO3/c1-9-12-33-27-22(15-20(28(3,4)5)16-24(27)29(6,7)8)23-17-30-25-11-10-19(14-21(23)25)18(2)13-26(31)32/h10-11,13-17,30H,9,12H2,1-8H3,(H,31,32)/b18-13+