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

Systemtic Name: 3-[2-[(2,5-dimethoxyphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(N-ethyl-2,5-dimethoxy-anilino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(N-ethyl-2,5-dimethoxyanilino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(N-ethyl-2,5-dimethoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(N-ethyl-2,5-dimethoxy-anilino)-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCN(C1=C(C=CC(=C1)OC)OC)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C22H24N2O5/c1-5-24(18-12-14(28-3)10-11-19(18)29-4)20(25)13-16-15-8-6-7-9-17(15)23(2)21(16)22(26)27/h6-12H,5,13H2,1-4H3,(H,26,27)