ethyl 4-[5-[2-chloranyl-4-(2,2-dimethylpropyl)phenoxy]pentyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-chloranyl-4-(2,2-dimethylpropyl)phenoxy]pentyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]pentyl]piperazine-1-carboxylate CAS Name: 4-[5-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]pentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-chloro-4-(2,2-dimethylpropyl)phenoxy]pentyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-chloro-4-neopentyl-phenoxy)pentyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H37ClN2O3 MolecularWeight: 425.00448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCCCOC2=C(C=C(C=C2)CC(C)(C)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCCCOC2=C(C=C(C=C2)CC(C)(C)C)Cl

InChI

InChI=1S/C23H37ClN2O3/c1-5-28-22(27)26-14-12-25(13-15-26)11-7-6-8-16-29-21-10-9-19(17-20(21)24)18-23(2,3)4/h9-10,17H,5-8,11-16,18H2,1-4H3