(1R,2S)-2-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-chloro-5-ethoxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H24ClNO5 MolecularWeight: 369.83986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)C2CCCCC2C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)Cl)OC

InChI

InChI=1S/C18H24ClNO5/c1-3-25-15-9-11(8-14(19)16(15)24-2)10-20-17(21)12-6-4-5-7-13(12)18(22)23/h8-9,12-13H,3-7,10H2,1-2H3,(H,20,21)(H,22,23)/t12-,13+/m0/s1