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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-14(2)27-16-8-7-15(11-17(16)25-3)19(24)26-12-18(23)22-20(13-21)9-5-4-6-10-20/h7-8,11,14H,4-6,9-10,12H2,1-3H3,(H,22,23)