(1S,2R)-2-[[4-(2-chloranylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[4-(2-chloranylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[4-(2-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[4-(2-chlorophenoxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[4-(2-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[4-(2-chlorophenoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C21H21ClNO4- MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3Cl)C(=O)[O-]

InChI

InChI=1S/C21H22ClNO4/c22-18-7-3-4-8-19(18)27-15-11-9-14(10-12-15)13-23-20(24)16-5-1-2-6-17(16)21(25)26/h3-4,7-12,16-17H,1-2,5-6,13H2,(H,23,24)(H,25,26)/p-1/t16-,17+/m1/s1