2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-8-[[(1S,2R)-2-oxidanylcyclohexyl]methylcarbamoyl]dibenzofuran-3-carboxylic acid

Systemtic Name: 2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-8-[[(1S,2R)-2-oxidanylcyclohexyl]methylcarbamoyl]dibenzofuran-3-carboxylic acid Openeye Name: 8-[[(1S,2R)-2-hydroxycyclohexyl]methylcarbamoyl]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]dibenzofuran-3-carboxylic acid CAS Name: 8-[[[(1S,2R)-2-hydroxycyclohexyl]methylamino]-oxomethyl]-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-3-dibenzofurancarboxylic acid IUPAC Name: 8-[[(1S,2R)-2-hydroxycyclohexyl]methylcarbamoyl]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]dibenzofuran-3-carboxylic acid Traditional Name: 8-[[(1S,2R)-2-hydroxycyclohexyl]methylcarbamoyl]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]dibenzofuran-3-carboxylic acid Formula: C32H40N2O6 MolecularWeight: 548.6698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)C(=O)NCC5CCCCC5O)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)C(=O)NC[C@@H]5CCCC[C@H]5O)C(=O)O)C(C)C

InChI

InChI=1S/C32H40N2O6/c1-18(2)34(31(37)20-10-8-19(3)9-11-20)26-15-24-23-14-21(30(36)33-17-22-6-4-5-7-27(22)35)12-13-28(23)40-29(24)16-25(26)32(38)39/h12-16,18-20,22,27,35H,4-11,17H2,1-3H3,(H,33,36)(H,38,39)/t19?,20?,22-,27+/m0/s1