[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C19H23N3O4/c1-11(2)16(17(23)21-19(20)25)26-18(24)14-7-9-15(10-8-14)22-12(3)5-6-13(22)4/h5-11,16H,1-4H3,(H3,20,21,23,25)