[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H33NO5/c1-4-5-6-16-7-10-18(11-8-16)22(25)28-15-21(24)23-14-17-9-12-19(26-2)20(13-17)27-3/h9,12-13,16,18H,4-8,10-11,14-15H2,1-3H3,(H,23,24)