2-[(3E)-3-[[2-butyl-3-[(2-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylidene]-1-ethyl-2-oxidanylidene-indol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(3E)-3-[[2-butyl-3-[(2-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylidene]-1-ethyl-2-oxidanylidene-indol-1-ium-1-yl]ethanoate Openeye Name: 2-[(3E)-3-[[2-butyl-3-[(2-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylene]-1-ethyl-2-oxo-indolin-1-ium-1-yl]acetate CAS Name: 2-[(3E)-3-[[2-butyl-3-[(2-methoxycarbonylphenyl)methyl]-4-imidazolyl]methylidene]-1-ethyl-2-oxo-1-indol-1-iumyl]acetate IUPAC Name: 2-[(3E)-3-[[2-butyl-3-[(2-methoxycarbonylphenyl)methyl]imidazol-4-yl]methylidene]-1-ethyl-2-oxoindol-1-ium-1-yl]acetate Traditional Name: 2-[(3E)-3-[[2-butyl-3-(2-carbomethoxybenzyl)imidazol-4-yl]methylene]-1-ethyl-2-keto-indolin-1-ium-1-yl]acetate Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2C(=O)OC)C=C3C4=CC=CC=C4[N+](C3=O)(CC)CC(=O)[O-]

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2C(=O)OC)/C=C/3\C4=CC=CC=C4[N+](C3=O)(CC)CC(=O)[O-]

InChI

InChI=1S/C29H31N3O5/c1-4-6-15-26-30-17-21(31(26)18-20-11-7-8-12-22(20)29(36)37-3)16-24-23-13-9-10-14-25(23)32(5-2,28(24)35)19-27(33)34/h7-14,16-17H,4-6,15,18-19H2,1-3H3/b24-16+