[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic 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=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c23-15-22(12-2-1-3-13-22)24-20(26)14-28-21(27)18-6-4-16(5-7-18)17-8-10-19(25)11-9-17/h4-11,25H,1-3,12-14H2,(H,24,26)