2-[[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]methyl-(2-hydroxyethyl)amino]ethyl-methyl-carbamic acid

Systemtic Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]methyl-(2-hydroxyethyl)amino]ethyl-methyl-carbamic acid Openeye Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-methyl-phenyl]methyl-(2-hydroxyethyl)amino]ethyl-methyl-carbamic acid CAS Name: 2-[[3-[(1-adamantylmethylamino)-oxomethyl]-4-methylphenyl]methyl-(2-hydroxyethyl)amino]ethyl-methylcarbamic acid IUPAC Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-methylphenyl]methyl-(2-hydroxyethyl)amino]ethyl-methylcarbamic acid Traditional Name: 2-[[3-(1-adamantylmethylcarbamoyl)-4-methyl-benzyl]-(2-hydroxyethyl)amino]ethyl-methyl-carbamic acid Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(CCN(C)C(=O)O)CCO)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)CN(CCN(C)C(=O)O)CCO)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H39N3O4/c1-18-3-4-19(16-29(7-8-30)6-5-28(2)25(32)33)12-23(18)24(31)27-17-26-13-20-9-21(14-26)11-22(10-20)15-26/h3-4,12,20-22,30H,5-11,13-17H2,1-2H3,(H,27,31)(H,32,33)