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

Systemtic Name: (E)-3-[1-(2,4-dimethylpentan-3-yl)indol-5-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(1-isopropyl-2-methyl-propyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-[1-(2,4-dimethylpentan-3-yl)-5-indolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(2,4-dimethylpentan-3-yl)indol-5-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(1-isopropyl-2-methyl-propyl)indol-5-yl]but-2-enoic acid Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-12(2)19(13(3)4)20-9-8-16-11-15(6-7-17(16)20)14(5)10-18(21)22/h6-13,19H,1-5H3,(H,21,22)/b14-10+