[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H21NO4/c1-13-8-14(2)10-16(9-13)25-12-20(24)26-11-19(23)21-15(3)22-18-7-5-4-6-17(18)21/h4-10,22H,11-12H2,1-3H3