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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N(C)C3=CC(=C(C=C3OC)OC)Cl

InChI

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