[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H27N3O5/c1-12(25)16-6-17(24(2)10-16)19(27)29-11-18(26)22-20(28)23-21-7-13-3-14(8-21)5-15(4-13)9-21/h6,10,13-15H,3-5,7-9,11H2,1-2H3,(H2,22,23,26,28)