(1S,2S)-2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(4-benzyloxyphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[oxo-(4-phenylmethoxyanilino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(4-phenylmethoxyphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-benzoxyphenyl)carbamoyl]cyclohexanecarboxylate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23NO4/c23-20(18-8-4-5-9-19(18)21(24)25)22-16-10-12-17(13-11-16)26-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2,(H,22,23)(H,24,25)/p-1/t18-,19-/m0/s1