methyl 5-[(2S)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(1-adamantylmethylamino)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(1-adamantylmethylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O3/c1-12-18(21(26)27-4)13(2)24-19(12)20(25)14(3)23-11-22-8-15-5-16(9-22)7-17(6-15)10-22/h14-17,23-24H,5-11H2,1-4H3/t14-,15?,16?,17?,22?/m0/s1