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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) (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-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-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 (1-allophanoyl-2-methyl-propyl) ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5/c1-14(2)22(23(29)28-25(26)31)33-24(30)20-17-9-3-4-11-19(17)27-21-15(7-5-10-18(20)21)13-16-8-6-12-32-16/h3-4,6,8-9,11-14,22H,5,7,10H2,1-2H3,(H3,26,28,29,31)/b15-13+