(1R,2S)-2-[(5-chloranyl-2-phenoxy-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(5-chloranyl-2-phenoxy-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(5-chloro-2-phenoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(5-chloro-2-phenoxyanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(5-chloro-2-phenoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(5-chloro-2-phenoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20ClNO4/c21-13-10-11-18(26-14-6-2-1-3-7-14)17(12-13)22-19(23)15-8-4-5-9-16(15)20(24)25/h1-3,6-7,10-12,15-16H,4-5,8-9H2,(H,22,23)(H,24,25)/t15-,16+/m0/s1