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

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC(=C(C=C3)OC)OC)C(=O)O)C

InChI

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