1-(1-ethanoylindol-1-ium-1-yl)ethanone; 2-methoxy-3-[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)butanoate

Systemtic Name: 1-(1-ethanoylindol-1-ium-1-yl)ethanone; 2-methoxy-3-[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)butanoate Openeye Name: 1-(1-acetylindol-1-ium-1-yl)ethanone; 2-benzoyl-3-(4-isobutylphenyl)-2-methoxy-butanoate CAS Name: 1-(1-acetyl-1-indol-1-iumyl)ethanone; 2-benzoyl-2-methoxy-3-[4-(2-methylpropyl)phenyl]butanoate IUPAC Name: 1-(1-acetylindol-1-ium-1-yl)ethanone; 2-benzoyl-2-methoxy-3-[4-(2-methylpropyl)phenyl]butanoate Traditional Name: 1-(1-acetylindol-1-ium-1-yl)ethanone; 2-benzoyl-3-(4-isobutylphenyl)-2-methoxy-butyrate Formula: C34H37NO6 MolecularWeight: 555.66068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(C(=O)C2=CC=CC=C2)(C(=O)[O-])OC.CC(=O)[N+]1(C=CC2=CC=CC=C21)C(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(C(=O)C2=CC=CC=C2)(C(=O)[O-])OC.CC(=O)[N+]1(C=CC2=CC=CC=C21)C(=O)C

InChI

InChI=1S/C22H26O4.C12H12NO2/c1-15(2)14-17-10-12-18(13-11-17)16(3)22(26-4,21(24)25)20(23)19-8-6-5-7-9-19;1-9(14)13(10(2)15)8-7-11-5-3-4-6-12(11)13/h5-13,15-16H,14H2,1-4H3,(H,24,25);3-8H,1-2H3/q;+1/p-1