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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-16(2)9-12-28-18-8-7-17(13-19(18)27-3)21(26)29-14-20(25)24-22(15-23)10-5-4-6-11-22/h7-8,13,16H,4-6,9-12,14H2,1-3H3,(H,24,25)