ethyl 5-(1-adamantylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(1-adamantylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(1-adamantylmethylamino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-adamantylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(1-adamantylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H30N2O3/c1-4-26-20(25)17-12(2)18(23-13(17)3)19(24)22-11-21-8-14-5-15(9-21)7-16(6-14)10-21/h14-16,23H,4-11H2,1-3H3,(H,22,24)