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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28N2O4/c1-13(24)17-6-18(23(2)10-17)20(26)27-11-19(25)22-12-21-7-14-3-15(8-21)5-16(4-14)9-21/h6,10,14-16H,3-5,7-9,11-12H2,1-2H3,(H,22,25)