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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=CC2=C1C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CCC(C)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C16H19NO2/c1-4-12(3)17-8-7-14-10-13(5-6-15(14)17)11(2)9-16(18)19/h5-10,12H,4H2,1-3H3,(H,18,19)/b11-9+