cyclohexyl 4-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: cyclohexyl 4-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: cyclohexyl 4-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-piperidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-(vanillylcarbamoyl)piperidine-1-carboxylic acid cyclohexyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C(=O)OC3CCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C(=O)OC3CCCCC3)O

InChI

InChI=1S/C21H30N2O5/c1-27-19-13-15(7-8-18(19)24)14-22-20(25)16-9-11-23(12-10-16)21(26)28-17-5-3-2-4-6-17/h7-8,13,16-17,24H,2-6,9-12,14H2,1H3,(H,22,25)