(2E)-2-[3-(1H-indol-5-yl)propylidene]-5-methyl-3-(2-methylpropyl)hexanoic acid

Systemtic Name: (2E)-2-[3-(1H-indol-5-yl)propylidene]-5-methyl-3-(2-methylpropyl)hexanoic acid Openeye Name: (2E)-2-[3-(1H-indol-5-yl)propylidene]-3-isobutyl-5-methyl-hexanoic acid CAS Name: (2E)-2-[3-(1H-indol-5-yl)propylidene]-5-methyl-3-(2-methylpropyl)hexanoic acid IUPAC Name: (2E)-2-[3-(1H-indol-5-yl)propylidene]-5-methyl-3-(2-methylpropyl)hexanoic acid Traditional Name: (E)-5-(1H-indol-5-yl)-2-(1-isobutyl-3-methyl-butyl)pent-2-enoic acid Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C(=CCCC1=CC2=C(C=C1)NC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(CC(C)C)/C(=C\CCC1=CC2=C(C=C1)NC=C2)/C(=O)O

InChI

InChI=1S/C22H31NO2/c1-15(2)12-19(13-16(3)4)20(22(24)25)7-5-6-17-8-9-21-18(14-17)10-11-23-21/h7-11,14-16,19,23H,5-6,12-13H2,1-4H3,(H,24,25)/b20-7+