3-(3,4-dimethoxyphenyl)propyl 1-(1-adamantylcarbamoyl)piperidine-2-carboxylate

Systemtic Name: 3-(3,4-dimethoxyphenyl)propyl 1-(1-adamantylcarbamoyl)piperidine-2-carboxylate Openeye Name: 3-(3,4-dimethoxyphenyl)propyl 1-(1-adamantylcarbamoyl)piperidine-2-carboxylate CAS Name: 1-[(1-adamantylamino)-oxomethyl]-2-piperidinecarboxylic acid 3-(3,4-dimethoxyphenyl)propyl ester IUPAC Name: 3-(3,4-dimethoxyphenyl)propyl 1-(1-adamantylcarbamoyl)piperidine-2-carboxylate Traditional Name: 1-(1-adamantylcarbamoyl)pipecolinic acid 3-(3,4-dimethoxyphenyl)propyl ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCOC(=O)C2CCCCN2C(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCOC(=O)C2CCCCN2C(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C28H40N2O5/c1-33-24-9-8-19(15-25(24)34-2)6-5-11-35-26(31)23-7-3-4-10-30(23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h8-9,15,20-23H,3-7,10-14,16-18H2,1-2H3,(H,29,32)