(phenylmethyl) 3-[(4-methoxycarbonyl-2-adamantyl)carbamoyl]-3-methyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(4-methoxycarbonyl-2-adamantyl)carbamoyl]-3-methyl-piperidine-1-carboxylate Openeye Name: benzyl 3-[(4-methoxycarbonyl-2-adamantyl)carbamoyl]-3-methyl-piperidine-1-carboxylate CAS Name: 3-[[(4-methoxycarbonyl-2-adamantyl)amino]-oxomethyl]-3-methyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-methoxycarbonyl-2-adamantyl)carbamoyl]-3-methylpiperidine-1-carboxylate Traditional Name: 3-[(4-carbomethoxy-2-adamantyl)carbamoyl]-3-methyl-piperidine-1-carboxylic acid benzyl ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3C4CC5CC(C4)C(C3C5)C(=O)OC

Isomeric SMILES

CC1(CCCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3C4CC5CC(C4)C(C3C5)C(=O)OC

InChI

InChI=1S/C27H36N2O5/c1-27(9-6-10-29(16-27)26(32)34-15-17-7-4-3-5-8-17)25(31)28-23-20-12-18-11-19(14-20)22(21(23)13-18)24(30)33-2/h3-5,7-8,18-23H,6,9-16H2,1-2H3,(H,28,31)