3-[3-[methyl(propan-2-yl)carbamoyl]-1-adamantyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[3-[methyl(propan-2-yl)carbamoyl]-1-adamantyl]adamantane-1-carboxylic acid Openeye Name: 3-[3-[isopropyl(methyl)carbamoyl]-1-adamantyl]adamantane-1-carboxylic acid CAS Name: 3-[3-[[methyl(propan-2-yl)amino]-oxomethyl]-1-adamantyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[3-[methyl(propan-2-yl)carbamoyl]-1-adamantyl]adamantane-1-carboxylic acid Traditional Name: 3-[3-[isopropyl(methyl)carbamoyl]-1-adamantyl]adamantane-1-carboxylic acid Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(=O)O

Isomeric SMILES

CC(C)N(C)C(=O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(=O)O

InChI

InChI=1S/C26H39NO3/c1-16(2)27(3)21(28)23-6-17-4-18(7-23)11-25(10-17,14-23)26-12-19-5-20(13-26)9-24(8-19,15-26)22(29)30/h16-20H,4-15H2,1-3H3,(H,29,30)