[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H21NO3/c1-12-9-13(2)11-16(10-12)21(24)25-15(4)20(23)19-14(3)22-18-8-6-5-7-17(18)19/h5-11,15,22H,1-4H3/t15-/m1/s1