(E)-2-[1-(1-heptan-4-ylindol-5-yl)ethyl]-3-oxidanylidene-2-phenoxy-hex-4-enoic acid

Systemtic Name: (E)-2-[1-(1-heptan-4-ylindol-5-yl)ethyl]-3-oxidanylidene-2-phenoxy-hex-4-enoic acid Openeye Name: (E)-3-oxo-2-phenoxy-2-[1-[1-(1-propylbutyl)indol-5-yl]ethyl]hex-4-enoic acid CAS Name: (E)-2-[1-(1-heptan-4-yl-5-indolyl)ethyl]-3-oxo-2-phenoxy-4-hexenoic acid IUPAC Name: (E)-2-[1-(1-heptan-4-ylindol-5-yl)ethyl]-3-oxo-2-phenoxyhex-4-enoic acid Traditional Name: (E)-3-keto-2-phenoxy-2-[1-[1-(1-propylbutyl)indol-5-yl]ethyl]hex-4-enoic acid Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)C=CC)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C(C)C(C(=O)/C=C/C)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C29H35NO4/c1-5-11-24(12-6-2)30-19-18-23-20-22(16-17-26(23)30)21(4)29(28(32)33,27(31)13-7-3)34-25-14-9-8-10-15-25/h7-10,13-21,24H,5-6,11-12H2,1-4H3,(H,32,33)/b13-7+