ethyl (2E)-2-[[2-(2-octyl-1H-indol-3-yl)ethylamino]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[[2-(2-octyl-1H-indol-3-yl)ethylamino]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[[2-(2-octyl-1H-indol-3-yl)ethylamino]methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[2-(2-octyl-1H-indol-3-yl)ethylamino]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[[2-(2-octyl-1H-indol-3-yl)ethylamino]methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[2-(2-octyl-1H-indol-3-yl)ethylamino]acrylic acid ethyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C2=CC=CC=C2N1)CCNC=C(C(=O)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=C(C2=CC=CC=C2N1)CCN/C=C(\C(=O)C)/C(=O)OCC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-14-24-21(20-13-11-12-15-23(20)27-24)16-17-26-18-22(19(3)28)25(29)30-5-2/h11-13,15,18,26-27H,4-10,14,16-17H2,1-3H3/b22-18+