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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-2-22-15-6-4-3-5-13(15)14(19(22)20(24)25)10-18(23)21-12-7-8-16-17(9-12)27-11-26-16/h3-9H,2,10-11H2,1H3,(H,21,23)(H,24,25)