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

Systemtic Name: 5-chloranyl-3-[2-[(2,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(N-ethyl-2,5-dimethoxy-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(N-ethyl-2,5-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(N-ethyl-2,5-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(N-ethyl-2,5-dimethoxy-anilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O5/c1-4-24(17-10-13(28-2)6-8-18(17)29-3)19(25)11-15-14-9-12(22)5-7-16(14)23-20(15)21(26)27/h5-10,23H,4,11H2,1-3H3,(H,26,27)