2-[3-ethyl-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)-2-oxidanylidene-3,4-dihydronaphthalen-1-yl]ethanoic acid

Systemtic Name: 2-[3-ethyl-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)-2-oxidanylidene-3,4-dihydronaphthalen-1-yl]ethanoic acid Openeye Name: 2-[3-ethyl-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)-2-oxo-tetralin-1-yl]acetic acid CAS Name: 2-[3-ethyl-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)-2-oxo-3,4-dihydronaphthalen-1-yl]acetic acid IUPAC Name: 2-[3-ethyl-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)-2-oxo-3,4-dihydronaphthalen-1-yl]acetic acid Traditional Name: 2-[3-ethyl-2-keto-7-methoxy-1-(7-methyl-1,4-dioxepan-5-yl)tetralin-1-yl]acetic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)OC)C(C1=O)(CC(=O)O)C3CC(OCCO3)C

Isomeric SMILES

CCC1CC2=C(C=C(C=C2)OC)C(C1=O)(CC(=O)O)C3CC(OCCO3)C

InChI

InChI=1S/C21H28O6/c1-4-14-10-15-5-6-16(25-3)11-17(15)21(20(14)24,12-19(22)23)18-9-13(2)26-7-8-27-18/h5-6,11,13-14,18H,4,7-10,12H2,1-3H3,(H,22,23)