5-bromanyl-4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-4-[3-(tert-butylamino)propoxy]-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-bromo-4-[3-(tert-butylamino)propoxy]-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-4-[3-(tert-butylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-4-[3-(tert-butylamino)propoxy]-3-methyl-coumarilic acid Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2)Br)OCCCNC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2)Br)OCCCNC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H22BrNO4/c1-10-13-12(23-14(10)16(20)21)7-6-11(18)15(13)22-9-5-8-19-17(2,3)4/h6-7,19H,5,8-9H2,1-4H3,(H,20,21)