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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-5-6-13(2)15(4)20-10-9-17-12-16(7-8-18(17)20)14(3)11-19(21)22/h7-13,15H,5-6H2,1-4H3,(H,21,22)/b14-11+