2,2-dimethylpropyl 4-methyl-5-[3-(2-methylpropanoylamino)propylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-methyl-5-[3-(2-methylpropanoylamino)propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: 2,2-dimethylpropyl 4-methyl-5-[3-(2-methylpropanoylamino)propylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 4-methyl-5-[[3-[(2-methyl-1-oxopropyl)amino]propylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-methyl-5-[3-(2-methylpropanoylamino)propylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(isobutyrylamino)propylcarbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid neopentyl ester Formula: C19H31N3O4 MolecularWeight: 365.46714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)OCC(C)(C)C)C(=O)NCCCNC(=O)C(C)C

Isomeric SMILES

CC1=C(NC=C1C(=O)OCC(C)(C)C)C(=O)NCCCNC(=O)C(C)C

InChI

InChI=1S/C19H31N3O4/c1-12(2)16(23)20-8-7-9-21-17(24)15-13(3)14(10-22-15)18(25)26-11-19(4,5)6/h10,12,22H,7-9,11H2,1-6H3,(H,20,23)(H,21,24)