[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] (4E)-4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(2-furanylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(2-furfurylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C2CCCC(=CC3=CC=CO3)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C2CCC/C(=C\C3=CC=CO3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C28H29N3O4/c1-17(2)28(4,16-29)31-26(32)18(3)35-27(33)24-21-11-5-6-13-23(21)30-25-19(9-7-12-22(24)25)15-20-10-8-14-34-20/h5-6,8,10-11,13-15,17-18H,7,9,12H2,1-4H3,(H,31,32)/b19-15+