methyl 2-(2-adamantyl)-3-aminocarbonyl-1-[(4-chlorophenyl)methyl]-3-methyl-piperidine-4-carboxylate

Systemtic Name: methyl 2-(2-adamantyl)-3-aminocarbonyl-1-[(4-chlorophenyl)methyl]-3-methyl-piperidine-4-carboxylate Openeye Name: methyl 2-(2-adamantyl)-3-carbamoyl-1-[(4-chlorophenyl)methyl]-3-methyl-piperidine-4-carboxylate CAS Name: 2-(2-adamantyl)-3-carbamoyl-1-[(4-chlorophenyl)methyl]-3-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantyl)-3-carbamoyl-1-[(4-chlorophenyl)methyl]-3-methylpiperidine-4-carboxylate Traditional Name: 2-(2-adamantyl)-3-carbamoyl-1-(4-chlorobenzyl)-3-methyl-isonipecotic acid methyl ester Formula: C26H35ClN2O3 MolecularWeight: 459.0207

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1C2C3CC4CC(C3)CC2C4)CC5=CC=C(C=C5)Cl)C(=O)OC)C(=O)N

Isomeric SMILES

CC1(C(CCN(C1C2C3CC4CC(C3)CC2C4)CC5=CC=C(C=C5)Cl)C(=O)OC)C(=O)N

InChI

InChI=1S/C26H35ClN2O3/c1-26(25(28)31)21(24(30)32-2)7-8-29(14-15-3-5-20(27)6-4-15)23(26)22-18-10-16-9-17(12-18)13-19(22)11-16/h3-6,16-19,21-23H,7-14H2,1-2H3,(H2,28,31)