[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic 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] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N2O4/c1-13-21(15-7-3-4-8-16(15)23-13)22(26)14(2)27-20(25)12-11-19-24-17-9-5-6-10-18(17)28-19/h3-10,14,23H,11-12H2,1-2H3/t14-/m0/s1