[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C21H28N2O5/c1-14(2)27-17-9-8-16(12-18(17)26-4)20(25)28-15(3)19(24)23-21(13-22)10-6-5-7-11-21/h8-9,12,14-15H,5-7,10-11H2,1-4H3,(H,23,24)