[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate CAS Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Traditional Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C21H25N3O4/c1-12(2)18(19(25)24-21(22)27)28-20(26)17-13-8-4-3-5-10-15(13)23-16-11-7-6-9-14(16)17/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3,(H3,22,24,25,27)