methyl 2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-2-[2-(1-adamantylmethylamino)-2-oxo-ethyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-2-[2-(1-adamantylmethylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-(1-adamantylmethylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-(1-adamantylmethylamino)-2-keto-ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C(=O)C

InChI

InChI=1S/C22H30N2O4/c1-12-19(21(27)28-3)17(24-20(12)13(2)25)7-18(26)23-11-22-8-14-4-15(9-22)6-16(5-14)10-22/h14-16,24H,4-11H2,1-3H3,(H,23,26)