(E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoic acid

Systemtic Name: (E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoic acid Openeye Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoic acid CAS Name: (E)-3-(1-heptan-4-yl-5-indolyl)-2-pentenoic acid IUPAC Name: (E)-3-(1-heptan-4-ylindol-5-yl)pent-2-enoic acid Traditional Name: (E)-3-[1-(1-propylbutyl)indol-5-yl]pent-2-enoic acid Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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