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

Systemtic Name: (E)-3-(1-hexan-2-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-methylpentyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-hexan-2-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-hexan-2-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-methylpentyl)indol-5-yl]but-2-enoic acid Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2/c1-4-5-6-14(3)19-10-9-16-12-15(7-8-17(16)19)13(2)11-18(20)21/h7-12,14H,4-6H2,1-3H3,(H,20,21)/b13-11+