2-isocyano-2-methyl-3-[1-(phenylcarbonyl)-2,3-dihydroindol-5-yl]propanoic acid

Systemtic Name: 2-isocyano-2-methyl-3-[1-(phenylcarbonyl)-2,3-dihydroindol-5-yl]propanoic acid Openeye Name: 3-(1-benzoylindolin-5-yl)-2-isocyano-2-methyl-propanoic acid CAS Name: 3-(1-benzoyl-2,3-dihydroindol-5-yl)-2-isocyano-2-methylpropanoic acid IUPAC Name: 3-(1-benzoyl-2,3-dihydroindol-5-yl)-2-isocyano-2-methylpropanoic acid Traditional Name: 3-(1-benzoylindolin-5-yl)-2-isocyano-2-methyl-propionic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(CC2)C(=O)C3=CC=CC=C3)(C(=O)O)[N+]#[C-]

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(CC2)C(=O)C3=CC=CC=C3)(C(=O)O)[N+]#[C-]

InChI

InChI=1S/C20H18N2O3/c1-20(21-2,19(24)25)13-14-8-9-17-16(12-14)10-11-22(17)18(23)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1H3,(H,24,25)