3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(homoveratrylamino)methyl]-2-furyl]-2-methyl-benzoic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)CNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)CNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H25NO5/c1-15-18(5-4-6-19(15)23(25)26)20-10-8-17(29-20)14-24-12-11-16-7-9-21(27-2)22(13-16)28-3/h4-10,13,24H,11-12,14H2,1-3H3,(H,25,26)