4-[2-[[3-(dimethylaminomethyl)-1-benzofuran-2-yl]carbonylamino]ethoxy]benzoic acid

Systemtic Name: 4-[2-[[3-(dimethylaminomethyl)-1-benzofuran-2-yl]carbonylamino]ethoxy]benzoic acid Openeye Name: 4-[2-[[3-(dimethylaminomethyl)benzofuran-2-carbonyl]amino]ethoxy]benzoic acid CAS Name: 4-[2-[[[3-(dimethylaminomethyl)-2-benzofuranyl]-oxomethyl]amino]ethoxy]benzoic acid IUPAC Name: 4-[2-[[3-(dimethylaminomethyl)-1-benzofuran-2-carbonyl]amino]ethoxy]benzoic acid Traditional Name: 4-[2-[[3-(dimethylaminomethyl)benzofuran-2-carbonyl]amino]ethoxy]benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5/c1-23(2)13-17-16-5-3-4-6-18(16)28-19(17)20(24)22-11-12-27-15-9-7-14(8-10-15)21(25)26/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)