[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H27N3O7/c1-13(2)21(23(29)28-25(26)31)35-24(30)16-12-18(27-17-9-7-6-8-15(16)17)14-10-19(32-3)22(34-5)20(11-14)33-4/h6-13,21H,1-5H3,(H3,26,28,29,31)