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

Systemtic Name: (E)-3-(1-nonan-5-ylindol-5-yl)but-2-enoic acid Openeye Name: (E)-3-[1-(1-butylpentyl)indol-5-yl]but-2-enoic acid CAS Name: (E)-3-(1-nonan-5-yl-5-indolyl)-2-butenoic acid IUPAC Name: (E)-3-(1-nonan-5-ylindol-5-yl)but-2-enoic acid Traditional Name: (E)-3-[1-(1-butylpentyl)indol-5-yl]but-2-enoic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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