(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoic acid

Systemtic Name: (E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-heptan-4-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoic acid Formula: C19H25NO2 MolecularWeight: 299.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-4-6-17(7-5-2)20-11-10-16-13-15(8-9-18(16)20)14(3)12-19(21)22/h8-13,17H,4-7H2,1-3H3,(H,21,22)/b14-12+