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

Systemtic Name: cycloheptyl 4-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: cycloheptyl 4-[(4-hydroxy-3-methoxy-phenyl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(4-hydroxy-3-methoxyphenyl)methylamino]-oxomethyl]-1-piperidinecarboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-(vanillylcarbamoyl)piperidine-1-carboxylic acid cycloheptyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C(=O)OC3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C(=O)OC3CCCCCC3)O

InChI

InChI=1S/C22H32N2O5/c1-28-20-14-16(8-9-19(20)25)15-23-21(26)17-10-12-24(13-11-17)22(27)29-18-6-4-2-3-5-7-18/h8-9,14,17-18,25H,2-7,10-13,15H2,1H3,(H,23,26)