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

Systemtic Name: (E)-3-(1-pentylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-(1-pentylindol-5-yl)but-2-enoic acid CAS Name: (E)-3-(1-pentyl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-pentylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-(1-amylindol-5-yl)but-2-enoic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C17H21NO2/c1-3-4-5-9-18-10-8-15-12-14(6-7-16(15)18)13(2)11-17(19)20/h6-8,10-12H,3-5,9H2,1-2H3,(H,19,20)/b13-11+