tert-butyl 2-[6-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[6-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]oxyethanoate Openeye Name: tert-butyl 2-[6-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]oxyacetate CAS Name: 2-[[6-[2-(1-pyrrolidinyl)ethoxy]-1-cyclohexa-1,5-dienyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]oxyacetate Traditional Name: 2-[6-(2-pyrrolidinoethoxy)cyclohexa-1,5-dien-1-yl]oxyacetic acid tert-butyl ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CCCC=C1OCCN2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CCCC=C1OCCN2CCCC2

InChI

InChI=1S/C18H29NO4/c1-18(2,3)23-17(20)14-22-16-9-5-4-8-15(16)21-13-12-19-10-6-7-11-19/h8-9H,4-7,10-14H2,1-3H3