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

Systemtic Name: (E)-3-[1-(1-phenylpropyl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(1-phenylpropyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-(1-phenylpropyl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(1-phenylpropyl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(1-phenylpropyl)indol-5-yl]but-2-enoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)N2C=CC3=C2C=CC(=C3)C(=CC(=O)O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)N2C=CC3=C2C=CC(=C3)/C(=C/C(=O)O)/C

InChI

InChI=1S/C21H21NO2/c1-3-19(16-7-5-4-6-8-16)22-12-11-18-14-17(9-10-20(18)22)15(2)13-21(23)24/h4-14,19H,3H2,1-2H3,(H,23,24)/b15-13+