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

Systemtic Name: ethyl 4-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H31N3O4/c1-4-29-21(28)19-12(2)18(13(3)23-19)20(27)25-24-17(26)11-22-8-14-5-15(9-22)7-16(6-14)10-22/h14-16,23H,4-11H2,1-3H3,(H,24,26)(H,25,27)