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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-4-12-27-17-9-8-16(13-18(17)26-3)20(25)28-14-19(24)23(2)21(15-22)10-6-5-7-11-21/h4,8-9,13H,1,5-7,10-12,14H2,2-3H3