(1S,2R)-2-[(3-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(3-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(3-phenethyloxyphenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[(3-phenethyloxyphenyl)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(3-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(3-phenethyloxybenzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC(=CC=C2)OCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC(=CC=C2)OCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27NO4/c25-22(20-11-4-5-12-21(20)23(26)27)24-16-18-9-6-10-19(15-18)28-14-13-17-7-2-1-3-8-17/h1-3,6-10,15,20-21H,4-5,11-14,16H2,(H,24,25)(H,26,27)/t20-,21+/m1/s1