8-(hydroxymethyl)-7-methyl-2-[(4-methylcyclohexyl)-propan-2-yl-amino]dibenzofuran-3-carboxylic acid

Systemtic Name: 8-(hydroxymethyl)-7-methyl-2-[(4-methylcyclohexyl)-propan-2-yl-amino]dibenzofuran-3-carboxylic acid Openeye Name: 8-(hydroxymethyl)-2-[isopropyl-(4-methylcyclohexyl)amino]-7-methyl-dibenzofuran-3-carboxylic acid CAS Name: 8-(hydroxymethyl)-7-methyl-2-[(4-methylcyclohexyl)-propan-2-ylamino]-3-dibenzofurancarboxylic acid IUPAC Name: 8-(hydroxymethyl)-7-methyl-2-[(4-methylcyclohexyl)-propan-2-ylamino]dibenzofuran-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexyl)amino]-7-methyl-8-methylol-dibenzofuran-3-carboxylic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C2=C(C=C3C(=C2)C4=CC(=C(C=C4O3)C)CO)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)N(C2=C(C=C3C(=C2)C4=CC(=C(C=C4O3)C)CO)C(=O)O)C(C)C

InChI

InChI=1S/C25H31NO4/c1-14(2)26(18-7-5-15(3)6-8-18)22-11-20-19-10-17(13-27)16(4)9-23(19)30-24(20)12-21(22)25(28)29/h9-12,14-15,18,27H,5-8,13H2,1-4H3,(H,28,29)