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

Systemtic Name: (E)-3-(1-octan-4-ylindol-5-yl)pent-2-enoic acid Openeye Name: (E)-3-[1-(1-propylpentyl)indol-5-yl]pent-2-enoic acid CAS Name: (E)-3-(1-octan-4-yl-5-indolyl)-2-pentenoic acid IUPAC Name: (E)-3-(1-octan-4-ylindol-5-yl)pent-2-enoic acid Traditional Name: (E)-3-[1-(1-propylpentyl)indol-5-yl]pent-2-enoic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-4-7-9-19(8-5-2)22-13-12-18-14-17(10-11-20(18)22)16(6-3)15-21(23)24/h10-15,19H,4-9H2,1-3H3,(H,23,24)/b16-15+