[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1H-indole-3-carboxylate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1H-indole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)OC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O4/c1-13(2)21(26)24-16-10-8-15(9-11-16)20(25)14(3)28-22(27)18-12-23-19-7-5-4-6-17(18)19/h4-14,23H,1-3H3,(H,24,26)/t14-/m0/s1