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

Systemtic Name: (1R,2S)-2-[(4-chloranyl-3-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(4-chloro-3-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(4-chloro-3-methylanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(4-chloro-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(4-chloro-3-methyl-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C15H18ClNO3 MolecularWeight: 295.76132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCCC2C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)Cl

InChI

InChI=1S/C15H18ClNO3/c1-9-8-10(6-7-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/t11-,12+/m0/s1