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

Systemtic Name: ethyl 5-[(1-adamantylcarbonylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29N3O4/c1-4-28-19(26)16-11(2)17(22-12(16)3)18(25)23-24-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h13-15,22H,4-10H2,1-3H3,(H,23,25)(H,24,27)