(1S,2R)-2-[[3-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[3-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[3-(3-phenylpropoxy)phenyl]methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[3-(3-phenylpropoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C24H28NO4- MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC(=CC=C2)OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC(=CC=C2)OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H29NO4/c26-23(21-13-4-5-14-22(21)24(27)28)25-17-19-10-6-12-20(16-19)29-15-7-11-18-8-2-1-3-9-18/h1-3,6,8-10,12,16,21-22H,4-5,7,11,13-15,17H2,(H,25,26)(H,27,28)/p-1/t21-,22+/m1/s1