[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c23-16-22(12-5-2-6-13-22)24-20(25)15-27-21(26)17-8-7-11-19(14-17)28-18-9-3-1-4-10-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,24,25)