2-[[4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[3-(tert-butylamino)propoxy]-3-methyl-benzofuran-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-[3-(tert-butylamino)propoxy]-3-methyl-2-benzofuranyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-[3-(tert-butylamino)propoxy]-3-methyl-benzofuran-2-carbonyl]amino]benzoic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNC(C)(C)C)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNC(C)(C)C)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H28N2O5/c1-15-20-18(30-14-8-13-25-24(2,3)4)11-7-12-19(20)31-21(15)22(27)26-17-10-6-5-9-16(17)23(28)29/h5-7,9-12,25H,8,13-14H2,1-4H3,(H,26,27)(H,28,29)