(2S)-1-(3-methylbutanoyl)-2,3-dihydroindole-2-carboxylate

Systemtic Name: (2S)-1-(3-methylbutanoyl)-2,3-dihydroindole-2-carboxylate Openeye Name: (2S)-1-(3-methylbutanoyl)indoline-2-carboxylate CAS Name: (2S)-1-(3-methyl-1-oxobutyl)-2,3-dihydroindole-2-carboxylate IUPAC Name: (2S)-1-(3-methylbutanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: (2S)-1-isovalerylindoline-2-carboxylate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c1-9(2)7-13(16)15-11-6-4-3-5-10(11)8-12(15)14(17)18/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)/p-1/t12-/m0/s1