N-ethylethanamine; methyl 2-[3,5-bis(oxidanyl)phenyl]-2-(5-methylfuran-2-yl)ethanoate

Systemtic Name: N-ethylethanamine; methyl 2-[3,5-bis(oxidanyl)phenyl]-2-(5-methylfuran-2-yl)ethanoate Openeye Name: N-ethylethanamine; methyl 2-(3,5-dihydroxyphenyl)-2-(5-methyl-2-furyl)acetate CAS Name: 2-(3,5-dihydroxyphenyl)-2-(5-methyl-2-furanyl)acetic acid methyl ester; N-ethylethanamine IUPAC Name: N-ethylethanamine; methyl 2-(3,5-dihydroxyphenyl)-2-(5-methylfuran-2-yl)acetate Traditional Name: diethylamine; 2-(3,5-dihydroxyphenyl)-2-(5-methyl-2-furyl)acetic acid methyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC=C(O1)C(C2=CC(=CC(=C2)O)O)C(=O)OC

Isomeric SMILES

CCNCC.CC1=CC=C(O1)C(C2=CC(=CC(=C2)O)O)C(=O)OC

InChI

InChI=1S/C14H14O5.C4H11N/c1-8-3-4-12(19-8)13(14(17)18-2)9-5-10(15)7-11(16)6-9;1-3-5-4-2/h3-7,13,15-16H,1-2H3;5H,3-4H2,1-2H3