(E)-3-(1-octan-4-ylindol-5-yl)but-2-enoic acid

Systemtic Name: (E)-3-(1-octan-4-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-propylpentyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-octan-4-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-octan-4-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-propylpentyl)indol-5-yl]but-2-enoic acid Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-4-6-8-18(7-5-2)21-12-11-17-14-16(9-10-19(17)21)15(3)13-20(22)23/h9-14,18H,4-8H2,1-3H3,(H,22,23)/b15-13+