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

Systemtic Name: (1S,2R)-2-[[4-(4-chloranylphenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[4-(4-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[4-(4-chlorophenoxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[4-(4-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[4-(4-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=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C21H22ClNO4/c22-15-7-11-17(12-8-15)27-16-9-5-14(6-10-16)13-23-20(24)18-3-1-2-4-19(18)21(25)26/h5-12,18-19H,1-4,13H2,(H,23,24)(H,25,26)/p-1/t18-,19+/m1/s1