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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H20N2O4/c22-14-21(11-1-2-12-21)23-19(25)13-27-20(26)17-5-3-15(4-6-17)16-7-9-18(24)10-8-16/h3-10,24H,1-2,11-13H2,(H,23,25)