3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethyl]-1-ethyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxidanylidene-ethyl]-1-ethyl-indole-6-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxo-ethyl]-1-ethyl-indole-6-carboxylic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethyl]-1-ethyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-oxoethyl]-1-ethylindole-6-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-ethoxy-2-keto-ethyl]-1-ethyl-indole-6-carboxylic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C22H21NO6/c1-3-23-11-16(15-7-5-14(21(24)25)9-17(15)23)20(22(26)27-4-2)13-6-8-18-19(10-13)29-12-28-18/h5-11,20H,3-4,12H2,1-2H3,(H,24,25)