3-[2-[(2,4-dimethoxyphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2,4-dimethoxyphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2,4-dimethoxy-N-methyl-anilino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(2,4-dimethoxy-N-methylanilino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2,4-dimethoxy-N-methylanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(2,4-dimethoxy-N-methyl-anilino)-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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