[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [(1S)-2-keto-1-methyl-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=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-13-19(17-11-7-8-12-18(17)22-13)20(23)14(2)26-21(24)15(3)25-16-9-5-4-6-10-16/h4-12,14-15,22H,1-3H3/t14-,15-/m0/s1