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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C23H32N2O5/c1-16(2)10-13-29-19-9-8-18(14-20(19)28-4)22(27)30-17(3)21(26)25-23(15-24)11-6-5-7-12-23/h8-9,14,16-17H,5-7,10-13H2,1-4H3,(H,25,26)