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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC23CC4CC(C2)CC(C4)C3)C

InChI

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