8-(methoxymethyl)-2-[(4-methylphenyl)carbonyl-propan-2-yl-amino]dibenzofuran-3-carboxylic acid

Systemtic Name: 8-(methoxymethyl)-2-[(4-methylphenyl)carbonyl-propan-2-yl-amino]dibenzofuran-3-carboxylic acid Openeye Name: 2-[isopropyl-(4-methylbenzoyl)amino]-8-(methoxymethyl)dibenzofuran-3-carboxylic acid CAS Name: 8-(methoxymethyl)-2-[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]-3-dibenzofurancarboxylic acid IUPAC Name: 8-(methoxymethyl)-2-[(4-methylbenzoyl)-propan-2-ylamino]dibenzofuran-3-carboxylic acid Traditional Name: 2-[isopropyl(p-toluoyl)amino]-8-(methoxymethyl)dibenzofuran-3-carboxylic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)COC)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)COC)C(=O)O)C(C)C

InChI

InChI=1S/C26H25NO5/c1-15(2)27(25(28)18-8-5-16(3)6-9-18)22-12-20-19-11-17(14-31-4)7-10-23(19)32-24(20)13-21(22)26(29)30/h5-13,15H,14H2,1-4H3,(H,29,30)