[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C20H18N2O5/c1-12(19(24)16-10-22-17-5-3-2-4-15(16)17)27-20(25)13-6-8-14(9-7-13)26-11-18(21)23/h2-10,12,22H,11H2,1H3,(H2,21,23)/t12-/m0/s1