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

Systemtic Name: (E)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-(2,6-dimethylheptan-4-yl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(2,6-dimethylheptan-4-yl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(1-isobutyl-3-methyl-butyl)indol-5-yl]but-2-enoic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-14(2)10-19(11-15(3)4)22-9-8-18-13-17(6-7-20(18)22)16(5)12-21(23)24/h6-9,12-15,19H,10-11H2,1-5H3,(H,23,24)/b16-12+