(1R,6R)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[4-(4-cyanophenoxy)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H17N2O4- MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C21H18N2O4/c22-13-14-5-9-16(10-6-14)27-17-11-7-15(8-12-17)23-20(24)18-3-1-2-4-19(18)21(25)26/h1-2,5-12,18-19H,3-4H2,(H,23,24)(H,25,26)/p-1/t18-,19-/m1/s1