[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N)OC

InChI

InChI=1S/C22H30N2O5/c1-16(2)13-28-18-9-8-17(12-19(18)27-4)21(26)29-14-20(25)24(3)22(15-23)10-6-5-7-11-22/h8-9,12,16H,5-7,10-11,13-14H2,1-4H3