(E)-3-(1-butylindol-5-yl)but-2-enoic acid

Systemtic Name: (E)-3-(1-butylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-(1-butylindol-5-yl)but-2-enoic acid CAS Name: (E)-3-(1-butyl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-butylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-(1-butylindol-5-yl)but-2-enoic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C16H19NO2/c1-3-4-8-17-9-7-14-11-13(5-6-15(14)17)12(2)10-16(18)19/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,19)/b12-10+