(E)-3-[1-(4-methylpentyl)indol-5-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-(4-methylpentyl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-(1-isohexylindol-5-yl)but-2-enoic acid CAS Name: (E)-3-[1-(4-methylpentyl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(4-methylpentyl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-(1-isohexylindol-5-yl)but-2-enoic acid Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CC(C)CCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C18H23NO2/c1-13(2)5-4-9-19-10-8-16-12-15(6-7-17(16)19)14(3)11-18(20)21/h6-8,10-13H,4-5,9H2,1-3H3,(H,20,21)/b14-11+