(Z)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoic acid

Systemtic Name: (Z)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoic acid Openeye Name: (Z)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]pent-2-enoic acid CAS Name: (Z)-3-[1-(2,6-dimethylheptan-4-yl)-5-indolyl]-2-pentenoic acid IUPAC Name: (Z)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]pent-2-enoic acid Traditional Name: (Z)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]pent-2-enoic acid Formula: C22H31NO2 MolecularWeight: 341.48704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)O)C1=CC2=C(C=C1)N(C=C2)C(CC(C)C)CC(C)C

Isomeric SMILES

CC/C(=C/C(=O)O)/C1=CC2=C(C=C1)N(C=C2)C(CC(C)C)CC(C)C

InChI

InChI=1S/C22H31NO2/c1-6-17(14-22(24)25)18-7-8-21-19(13-18)9-10-23(21)20(11-15(2)3)12-16(4)5/h7-10,13-16,20H,6,11-12H2,1-5H3,(H,24,25)/b17-14-