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

Systemtic Name: (E)-3-(1-pentan-2-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-methylbutyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-pentan-2-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-pentan-2-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-methylbutyl)indol-5-yl]but-2-enoic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-4-5-13(3)18-9-8-15-11-14(6-7-16(15)18)12(2)10-17(19)20/h6-11,13H,4-5H2,1-3H3,(H,19,20)/b12-10+