propan-2-yl 5-[(1-adamantylcarbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[(1-adamantylcarbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(adamantane-1-carbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(adamantane-1-carbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(adamantane-1-carbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O4/c1-11(2)29-20(27)17-12(3)18(23-13(17)4)19(26)24-25-21(28)22-8-14-5-15(9-22)7-16(6-14)10-22/h11,14-16,23H,5-10H2,1-4H3,(H,24,26)(H,25,28)