3-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-4-23-17-8-6-5-7-14(17)15(20(23)21(25)26)12-19(24)22-16-11-13(27-2)9-10-18(16)28-3/h5-11H,4,12H2,1-3H3,(H,22,24)(H,25,26)