6-methyl-6-(3-methylphenyl)-4-[[(5-oxidanyl-2-adamantyl)amino]methyl]-5-oxidanylidene-heptanoic acid

Systemtic Name: 6-methyl-6-(3-methylphenyl)-4-[[(5-oxidanyl-2-adamantyl)amino]methyl]-5-oxidanylidene-heptanoic acid Openeye Name: 4-[[(5-hydroxy-2-adamantyl)amino]methyl]-6-methyl-6-(m-tolyl)-5-oxo-heptanoic acid CAS Name: 4-[[(5-hydroxy-2-adamantyl)amino]methyl]-6-methyl-6-(3-methylphenyl)-5-oxoheptanoic acid IUPAC Name: 4-[[(5-hydroxy-2-adamantyl)amino]methyl]-6-methyl-6-(3-methylphenyl)-5-oxoheptanoic acid Traditional Name: 4-[[(5-hydroxy-2-adamantyl)amino]methyl]-5-keto-6-methyl-6-(m-tolyl)enanthic acid Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C)(C)C(=O)C(CCC(=O)O)CNC2C3CC4CC2CC(C4)(C3)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C)(C)C(=O)C(CCC(=O)O)CNC2C3CC4CC2CC(C4)(C3)O

InChI

InChI=1S/C26H37NO4/c1-16-5-4-6-21(9-16)25(2,3)24(30)18(7-8-22(28)29)15-27-23-19-10-17-11-20(23)14-26(31,12-17)13-19/h4-6,9,17-20,23,27,31H,7-8,10-15H2,1-3H3,(H,28,29)