ethyl 1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1-adamantylamino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(1-adamantylamino)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-adamantylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(1-adamantylamino)-2-keto-ethyl]-2,5-dimethyl-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(N(C(=C1)C)CC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-4-26-20(25)18-5-13(2)23(14(18)3)12-19(24)22-21-9-15-6-16(10-21)8-17(7-15)11-21/h5,15-17H,4,6-12H2,1-3H3,(H,22,24)