[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O4/c1-12-19(14(3)25)13(2)24-20(12)21(27)28-10-18(26)23-11-22-7-15-4-16(8-22)6-17(5-15)9-22/h14-17,24-25H,4-11H2,1-3H3,(H,23,26)/t14-,15?,16?,17?,22?/m0/s1