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

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic 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] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-13-19(16-10-6-7-11-17(16)23-13)20(25)14(2)27-18(24)12-22-21(26)15-8-4-3-5-9-15/h3-11,14,23H,12H2,1-2H3,(H,22,26)/t14-/m0/s1