(1S,2R)-2-[(4-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(4-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(4-phenethyloxyphenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[(4-phenethyloxyphenyl)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(4-phenethyloxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(4-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=C(C=C2)OCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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