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

Systemtic Name: (1S,2R)-2-[[3-(2-phenoxyethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3-(2-phenoxyethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[3-(2-phenoxyethoxy)phenyl]methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3-(2-phenoxyethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[3-(2-phenoxyethoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C23H26NO5- MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC(=CC=C2)OCCOC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC(=CC=C2)OCCOC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C23H27NO5/c25-22(20-11-4-5-12-21(20)23(26)27)24-16-17-7-6-10-19(15-17)29-14-13-28-18-8-2-1-3-9-18/h1-3,6-10,15,20-21H,4-5,11-14,16H2,(H,24,25)(H,26,27)/p-1/t20-,21+/m1/s1