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

Systemtic Name: (E)-3-[1-(1-phenylbutyl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(1-phenylbutyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-(1-phenylbutyl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(1-phenylbutyl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(1-phenylbutyl)indol-5-yl]but-2-enoic acid Formula: C22H23NO2 MolecularWeight: 333.42352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2/c1-3-7-20(17-8-5-4-6-9-17)23-13-12-19-15-18(10-11-21(19)23)16(2)14-22(24)25/h4-6,8-15,20H,3,7H2,1-2H3,(H,24,25)/b16-14+