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

Systemtic Name: [1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=C(C=C2)OCC=C)OC

Isomeric SMILES

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=C(C=C2)OCC=C)OC

InChI

InChI=1S/C22H28N2O5/c1-5-13-28-18-10-9-17(14-19(18)27-4)21(26)29-16(2)20(25)24(3)22(15-23)11-7-6-8-12-22/h5,9-10,14,16H,1,6-8,11-13H2,2-4H3