2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]ethanoic acid

Systemtic Name: 2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]ethanoic acid Openeye Name: 2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]acetic acid CAS Name: 2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]acetic acid IUPAC Name: 2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]acetic acid Traditional Name: 2-[9-tert-butyl-10-(cyanomethyl)-7,11-dioxaspiro[5.5]undecan-10-yl]acetic acid Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC2(CCCCC2)OC1(CC#N)CC(=O)O

Isomeric SMILES

CC(C)(C)C1COC2(CCCCC2)OC1(CC#N)CC(=O)O

InChI

InChI=1S/C17H27NO4/c1-15(2,3)13-12-21-17(7-5-4-6-8-17)22-16(13,9-10-18)11-14(19)20/h13H,4-9,11-12H2,1-3H3,(H,19,20)