(E)-3-[1-(2-methylpropyl)indol-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-(2-methylpropyl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-(1-isobutylindol-5-yl)but-2-enoic acid CAS Name: (E)-3-[1-(2-methylpropyl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(2-methylpropyl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-(1-isobutylindol-5-yl)but-2-enoic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=CC2=C1C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CC(C)CN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C16H19NO2/c1-11(2)10-17-7-6-14-9-13(4-5-15(14)17)12(3)8-16(18)19/h4-9,11H,10H2,1-3H3,(H,18,19)/b12-8+