4-[3-(tert-butylamino)propoxy]-3-propyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[3-(tert-butylamino)propoxy]-3-propyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-[3-(tert-butylamino)propoxy]-3-propyl-benzofuran-2-carboxylic acid CAS Name: 4-[3-(tert-butylamino)propoxy]-3-propyl-2-benzofurancarboxylic acid IUPAC Name: 4-[3-(tert-butylamino)propoxy]-3-propyl-1-benzofuran-2-carboxylic acid Traditional Name: 4-[3-(tert-butylamino)propoxy]-3-propyl-coumarilic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C1C(=CC=C2)OCCCNC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(OC2=C1C(=CC=C2)OCCCNC(C)(C)C)C(=O)O

InChI

InChI=1S/C19H27NO4/c1-5-8-13-16-14(23-12-7-11-20-19(2,3)4)9-6-10-15(16)24-17(13)18(21)22/h6,9-10,20H,5,7-8,11-12H2,1-4H3,(H,21,22)