[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C17H21N3O4/c1-8(2)14(15(21)20-17(18)23)24-16(22)13-7-11-10(4)5-9(3)6-12(11)19-13/h5-8,14,19H,1-4H3,(H3,18,20,21,23)