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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC1CCC(CC1)OC(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H32N2O5/c1-15-3-6-18(7-4-15)29-22(27)24-11-9-17(10-12-24)21(26)23-14-16-5-8-19(25)20(13-16)28-2/h5,8,13,15,17-18,25H,3-4,6-7,9-12,14H2,1-2H3,(H,23,26)