methyl 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoate Openeye Name: methyl 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoate CAS Name: 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoate Traditional Name: 4-[[2,2-dicyano-1-cyclohexyl-2-(1-ethoxyethoxy)ethyl]amino]benzoic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(C#N)(C#N)C(C1CCCCC1)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(C)OC(C#N)(C#N)C(C1CCCCC1)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H29N3O4/c1-4-28-16(2)29-22(14-23,15-24)20(17-8-6-5-7-9-17)25-19-12-10-18(11-13-19)21(26)27-3/h10-13,16-17,20,25H,4-9H2,1-3H3