3,3-dimethyl-6-[[2-[(1-oxidanylidene-7,7a-dihydro-3H-2-benzofuran-4-yl)amino]pyridin-3-yl]carbonylamino]-2H-indole-1-carboxylic acid

Systemtic Name: 3,3-dimethyl-6-[[2-[(1-oxidanylidene-7,7a-dihydro-3H-2-benzofuran-4-yl)amino]pyridin-3-yl]carbonylamino]-2H-indole-1-carboxylic acid Openeye Name: 3,3-dimethyl-6-[[2-[(1-oxo-7,7a-dihydro-3H-isobenzofuran-4-yl)amino]pyridine-3-carbonyl]amino]indoline-1-carboxylic acid CAS Name: 3,3-dimethyl-6-[[oxo-[2-[(1-oxo-7,7a-dihydro-3H-isobenzofuran-4-yl)amino]-3-pyridinyl]methyl]amino]-2H-indole-1-carboxylic acid IUPAC Name: 3,3-dimethyl-6-[[2-[(1-oxo-7,7a-dihydro-3H-2-benzofuran-4-yl)amino]pyridine-3-carbonyl]amino]-2H-indole-1-carboxylic acid Traditional Name: 6-[[2-[(1-keto-7,7a-dihydro-3H-isobenzofuran-4-yl)amino]nicotinoyl]amino]-3,3-dimethyl-indoline-1-carboxylic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=C5COC(=O)C5CC=C4)C(=O)O)C

Isomeric SMILES

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=C5COC(=O)C5CC=C4)C(=O)O)C

InChI

InChI=1S/C25H24N4O5/c1-25(2)13-29(24(32)33)20-11-14(8-9-18(20)25)27-22(30)16-6-4-10-26-21(16)28-19-7-3-5-15-17(19)12-34-23(15)31/h3-4,6-11,15H,5,12-13H2,1-2H3,(H,26,28)(H,27,30)(H,32,33)