3-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC(=C(C=C3OC)OC)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC(=C(C=C3OC)OC)Cl)C(=O)O)C

InChI

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