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

Systemtic Name: (1R,2S)-2-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(3-chloro-4-methoxyanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-chloro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCCC2C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)Cl

InChI

InChI=1S/C15H18ClNO4/c1-21-13-7-6-9(8-12(13)16)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)/t10-,11+/m0/s1